{"ymdb_id":"YMDB00231","created_at":"2011-05-29T16:09:28.000Z","updated_at":"2016-10-18T17:11:22.000Z","name":"Spermine","cas":"71-44-3","state":"Solid","melting_point":"29 oC","description":"Spermine is a polyamine formed from spermidine. Polyamines (e.g. spermidine, putrescine, spermine) are a ubiquitous group of compounds involved in many biological processes, including binding to nucleic acids, stabilizing membranes, and stimulating several enzymes. [Biocyc POLYAMINSYN3-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular;cytoplasm","synthesis_reference":"Wrede, Fritz; Strack, Erich; Hettche, Otto.  Spermine. VII.    Z. physiol. Chem.  (1928),  173  61-8. ","chebi_id":"15746","hmdb_id":"HMDB01256","kegg_id":"C00750","pubchem_id":"1103","cs_id":"1072","foodb_id":null,"wikipedia_link":"Spermine","biocyc_id":"SPERMINE","iupac":"(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine","traditional_iupac":"spermine","logp":"-1.4540076160000006","pka":null,"alogps_solubility":"2.19e+00 g/l","alogps_logp":"-0.66","alogps_logs":"-1.97","acceptor_count":"4","donor_count":"4","rotatable_bond_count":"11","polar_surface_area":"76.1","refractivity":"62.558200000000014","polarizability":"26.694691643339382","formal_charge":"0","physiological_charge":"4","pka_strongest_basic":"10.799251803165692","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1,5,10,14-Tetraazatetradecane","4,9-Diaza-1,12-dodecanediamine","4,9-Diazadodecamethylenediamine","4,9-Diazadodecane-1,12-diamine","diaminopropyl-tetramethylenediamine","Diaminopropyltetramethylenediamine","Gerontine","Musculamine","N,N'-bis(3-aminopropyl)-1,4-Butanediamine","N,N'-Bis(3-aminopropyl)-1,4-tetramethylenediamine","N,N'-Bis(3-aminopropyl)butane-1,4-diamine","N1,N4-bis(3-aminopropyl)-1,4-butanediamine","Neuridine","Spermin","Spermine","Spermine dihydrate","Spermine puriss","SPM"],"pathways":[{"name":"Arginine and proline metabolism","kegg_map_id":"00330"},{"name":"Glutathione metabolism","kegg_map_id":"00480"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"growth_conditions":[{"growth_media":"YEB media with 0.5 mM glucose","concentration":"223.0","concentration_units":"\u0026#181;M","error":"11.0"}],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."},{"pubmed_id":18625006,"citation":"Pirkov, I., Norbeck, J., Gustafsson, L., Albers, E. (2008). \"A complete inventory of all enzymes in the eukaryotic methionine salvage pathway.\" FEBS J 275:4111-4120."},{"pubmed_id":9920864,"citation":"Tomitori, H., Kashiwagi, K., Sakata, K., Kakinuma, Y., Igarashi, K. (1999). \"Identification of a gene for a polyamine transport protein in yeast.\" J Biol Chem 274:3265-3267."}],"proteins":[{"created_at":"2011-05-24T21:12:40.000Z","updated_at":"2011-05-27T15:00:57.000Z","name":"Polyamine oxidase FMS1","uniprot_id":"P50264","uniprot_name":"FMS1_YEAST","enzyme":true,"transporter":false,"gene_name":"FMS1","num_residues":508,"molecular_weight":"57805.10156","theoretical_pi":"5.38","general_function":"Amino acid transport and metabolism","specific_function":"Involved in the production of beta-alanine, a precursor of pantothenic acid. Multicopy suppressor of fenpropimorph resistance","reactions":[{"id":1903,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1906,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1907,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2368,"direction":"\u003e","locations":null,"altext":"Spermine + O(2) + H(2)O = spermidine + 3-aminopropanal + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":2369,"direction":"\u003e","locations":null,"altext":"Spermidine + O(2) + H(2)O = putrescine + 3-aminopropanal + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":2370,"direction":"\u003e","locations":null,"altext":"N(1)-acetylspermine + O(2) + H(2)O = spermidine + 3-acetamidopropanal + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":2371,"direction":"\u003e","locations":null,"altext":"N(1)-acetylspermidine + O(2) + H(2)O = putrescine + 3-acetamidopropanal + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":2372,"direction":"\u003e","locations":null,"altext":"N(8)-acetylspermidine + O(2) + H(2)O = 4-acetamidobutanal + trimethylenediamine + H(2)O(2).","export":false,"pw_reaction_id":null,"source":null},{"id":3757,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006281","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1YY5","cellular_location":null,"genbank_gene_id":"X81848","genbank_protein_id":"1143556","gene_card_id":"FMS1","chromosome_location":"chromosome 13","locus":"YMR020W","synonyms":["Fenpropimorph resistance multicopy suppressor 1"],"enzyme_classes":["1.5.3.17"],"go_classes":[],"pfams":[{"name":"Amino_oxidase","identifier":"PF01593"}],"pathways":[{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"gene_sequence":"ATGAATACAGTTTCACCAGCCAAAAAAAAGGTTATTATAATTGGTGCCGGTATTGCTGGGCTTAAAGCTGCATCTACGCTACACCAAAACGGTATTCAAGATTGTCTTGTTCTTGAGGCCAGAGATCGGGTCGGTGGTAGGTTGCAAACTGTCACAGGCTATCAAGGTCGGAAATATGATATAGGTGCTAGCTGGCACCATGATACGTTGACAAACCCTTTATTTTTGGAAGAGGCTCAACTGAGTTTGAATGATGGGAGAACGAGGTTTGTTTTTGATGACGATAATTTTATTTATATCGACGAAGAACGTGGAAGGGTAGACCATGACAAGGAACTGCTTCTTGAAATTGTGGACAATGAAATGAGCAAATTCGCAGAGTTAGAATTCCATCAACACTTAGGAGTTTCAGATTGCTCCTTTTTTCAATTAGTAATGAAATACTTACTACAAAGACGCCAATTTCTCACAAATGACCAAATAAGATATTTGCCACAACTCTGTCGATATCTGGAATTGTGGCACGGCTTAGATTGGAAGCTTTTGAGTGCCAAGGATACATACTTCGGTCACCAAGGAAGGAACGCCTTTGCTTTGAACTATGATTCTGTGGTTCAAAGAATTGCTCAAAGCTTTCCTCAAAATTGGTTAAAGCTAAGTTGTGAAGTGAAATCAATTACACGAGAACCTTCAAAAAATGTGACAGTGAACTGTGAAGATGGTACTGTGTACAATGCTGATTATGTTATTATTACAGTACCTCAAAGTGTATTGAATTTGTCTGTACAACCTGAAAAAAATTTACGGGGAAGAATAGAATTTCAACCACCCTTGAAACCAGTGATTCAAGATGCTTTTGACAAGATCCATTTTGGAGCGCTAGGTAAAGTAATTTTTGAGTTTGAAGAATGTTGTTGGTCGAACGAAAGTTCAAAAATTGTAACTTTGGCTAACTCTACCAATGAATTTGTCGAAATAGTACGTAATGCGGAAAATTTAGATGAATTAGACTCTATGCTAGAAAGGGAAGATTCTCAAAAGCATACGAGTGTTACTTGTTGGAGCCAGCCTTTATTTTTCGTAAATTTGTCAAAAAGCACAGGAGTAGCAAGCTTTATGATGTTGATGCAGGCACCGCTTACAAATCACATAGAATCCATTAGAGAAGATAAAGAGCGTCTTTTTAGTTTTTTCCAACCTGTGCTGAACAAGATTATGAAGTGTCTAGATTCTGAGGATGTCATCGACGGAATGAGGCCGATAGAAAACATTGCAAACGCTAATAAACCAGTCTTAAGAAACATCATCGTTAGCAACTGGACACGCGATCCTTACTCACGCGGTGCTTATTCGGCCTGTTTTCCAGGAGATGATCCAGTTGATATGGTTGTTGCAATGTCTAATGGTCAAGACTCCCGCATAAGATTTGCAGGCGAACATACTATCATGGACGGCGCCGGCTGTGCCTATGGTGCTTGGGAAAGCGGAAGACGGGAGGCGACTCGAATCTCTGACTTACTGAAATAG","protein_sequence":"MNTVSPAKKKVIIIGAGIAGLKAASTLHQNGIQDCLVLEARDRVGGRLQTVTGYQGRKYDIGASWHHDTLTNPLFLEEAQLSLNDGRTRFVFDDDNFIYIDEERGRVDHDKELLLEIVDNEMSKFAELEFHQHLGVSDCSFFQLVMKYLLQRRQFLTNDQIRYLPQLCRYLELWHGLDWKLLSAKDTYFGHQGRNAFALNYDSVVQRIAQSFPQNWLKLSCEVKSITREPSKNVTVNCEDGTVYNADYVIITVPQSVLNLSVQPEKNLRGRIEFQPPLKPVIQDAFDKIHFGALGKVIFEFEECCWSNESSKIVTLANSTNEFVEIVRNAENLDELDSMLEREDSQKHTSVTCWSQPLFFVNLSKSTGVASFMMLMQAPLTNHIESIREDKERLFSFFQPVLNKIMKCLDSEDVIDGMRPIENIANANKPVLRNIIVSNWTRDPYSRGAYSACFPGDDPVDMVVAMSNGQDSRIRFAGEHTIMDGAGCAYGAWESGRREATRISDLLK"},{"created_at":"2011-05-27T02:18:28.000Z","updated_at":"2011-05-27T15:01:17.000Z","name":"Spermine synthase","uniprot_id":"Q12455","uniprot_name":"SPSY_YEAST","enzyme":true,"transporter":false,"gene_name":"SPE4","num_residues":300,"molecular_weight":"34090.5","theoretical_pi":"4.77","general_function":"Involved in catalytic activity","specific_function":"S-adenosylmethioninamine + spermidine = 5'- methylthioadenosine + spermine","reactions":[{"id":1971,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2669,"direction":"\u003e","locations":null,"altext":"S-adenosylmethioninamine + spermidine = 5'-methylthioadenosine + spermine.","export":false,"pw_reaction_id":null,"source":null},{"id":3762,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006286","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AF067970","genbank_protein_id":"3201943","gene_card_id":"SPE4","chromosome_location":"chromosome 12","locus":"YLR146C","synonyms":["SPMSY","Spermidine aminopropyltransferase"],"enzyme_classes":["2.5.1.22"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"Spermine_synth","identifier":"PF01564"}],"pathways":[{"name":"Cysteine and methionine metabolism","kegg_map_id":"00270"},{"name":"Arginine and proline metabolism","kegg_map_id":"00330"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"},{"name":"Glutathione metabolism","kegg_map_id":"00480"}],"gene_sequence":"ATGGTTAATAATTCACAGCATCCTTACATCAAAGATGGATGGTTTAGAGAGATTAATGATAAAAGTTTTCCGGGCCAGGCCTTTACTATGACCGTGGACTCAATACTTTATGAAGCCCGCAGTGAATTTCAGGACATCTTAATCTTCCGTAACAAGGTATACGGTACTGTTTTGGTCCTCGATGGTATTGTCCAATGTACGGAATTTGATGAGTTTGCCTATCAAGAGATGATCACCCACATTGCCATGTTTGCGCATTCTAATCCCAAGCGTGTACTTATCATTGGCGGTGGGGACGGAGGTGTCTTAAGGGAAGTAGCCAAGCACAGCTGTGTAGAAGATATCACTATGGTAGAAATTGACTCATCAGTGATCGAATTATCCCGTAAGTTCTTGCCCACATTGAGTAATGGTGCTTTCGATGACGAAAGGTTGGACTTGAAACTTTGCGATGGCTTCAAGTTCTTACAAGATATAGGTGCTTCCGACGTCCATAAGAAATTTGACGTCATTATTACAGATAGTTCTGATCCTGAAGGTCCAGCTGAAGCGTTTTTTCAAGAGAGGTATTTCGAACTATTGAAAGATGCTTTAAATCCTAATGGCGTTGTTATTATGCAAAGCTCTGAAAATTTTTGGTTAAATTTAAAATACTTACATGATTTGAAAAATACAGCCAAAAAGGTATTTCCTAATACAGAATATTGCTATACCATGGTTCCAACCTATACATCTGGCCAATTAGGTTTAATTGTTTGCAGTAATAACGCCAATATACCGTTGAACATTCCGCAAAGAAAGATATCTGAGCAAGAACAAGGGAAGCTGAAGTACTATAATCCTCAAATACATTCTAGTGCGTTTGTTTTGCCTACTTGGGCAGACAAGGTCATTAATGAATGA","protein_sequence":"MVNNSQHPYIKDGWFREINDKSFPGQAFTMTVDSILYEARSEFQDILIFRNKVYGTVLVLDGIVQCTEFDEFAYQEMITHIAMFAHSNPKRVLIIGGGDGGVLREVAKHSCVEDITMVEIDSSVIELSRKFLPTLSNGAFDDERLDLKLCDGFKFLQDIGASDVHKKFDVIITDSSDPEGPAEAFFQERYFELLKDALNPNGVVIMQSSENFWLNLKYLHDLKNTAKKVFPNTEYCYTMVPTYTSGQLGLIVCSNNANIPLNIPQRKISEQEQGKLKYYNPQIHSSAFVLPTWADKVINE"},{"created_at":"2011-05-27T02:21:37.000Z","updated_at":"2011-05-27T15:01:17.000Z","name":"Polyamine transporter 1","uniprot_id":"Q07824","uniprot_name":"TPO1_YEAST","enzyme":false,"transporter":true,"gene_name":"TPO1","num_residues":586,"molecular_weight":"64271.60156","theoretical_pi":"6.88","general_function":"Involved in transmembrane transport","specific_function":"Cell membrane polyamine/proton antiporter, involved in the detoxification of excess polyamines in the cytoplasm. Catalyzes polyamine uptake at alkaline pH and excretion at acidic pH. Recognizes spermidine, spermine and putrescine, the polyamine analogs methylglyoxal bis(guanylhydrazone) (MGBG) and paraquat, the antimalarial drug quinidine, and cycloheximide. Confers resistance to the non-steroidal anti-inflammatory drug indomethacin","reactions":[],"signal_regions":"None","transmembrane_regions":"146-166;182-202;213-233;243-263;272-292;302-322;377-397;415-435;455-475;484-504;506-526;529-549;550-570","pdb_id":null,"cellular_location":"Cell membrane; Multi-pass membrane protein.","genbank_gene_id":"Z73133","genbank_protein_id":"1360210","gene_card_id":"TPO1","chromosome_location":"chromosome 12","locus":"YLL028W","synonyms":[],"enzyme_classes":[],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" membrane part"},{"category":"Component","description":" intrinsic to membrane"},{"category":"Component","description":" integral to membrane"},{"category":"Function","description":" drug transmembrane transporter activity"},{"category":"Function","description":" transporter activity"},{"category":"Function","description":" transmembrane transporter activity"},{"category":"Process","description":" transmembrane transport"},{"category":"Process","description":" establishment of localization"},{"category":"Process","description":" transport"},{"category":"Process","description":" drug transport"}],"pfams":[{"name":"MFS_1","identifier":"PF07690"}],"pathways":[],"gene_sequence":"ATGTCGGATCATTCTCCCATTTCTAATAAGGAAAATCATCTGCTGCCATCAGACTCGTCAAGAAGCTCATCCAGCGATATGCATTCGACGGGCACCACGGGAACCACAGGCGTCGAACCTGTAGATTTCACCGGTGAAGGTGCCAAATACACAACTGCTACGGAGGGCAATGGTGGTGCAGATTTAGCGATTCAAAGAACGACGACTATGAATTCTGCTGCAGAATCAGAGGTTAATATCACGAGAAGATTAACTAAAATCCTTACTGGGTCTGTTAACGAGCCTGACCGTGTAGAGGTTGATTATACCAATTGTGCGCCCATGGGTGGTGACAGACCTTACCCTCCATCGTTGCCGAGCAGAGACCTGTACGAGGTTACTTTTGATGGTCCTAACGACCCACTACATCCATTTAACTGGCCCATGAAGAAGAAAGTGCTGCTATGTCTGGTCTTATGTCTGGATTCTATTGCCATTGCTATGTGTTCTTCCATTTTTGCCTCTGCAGTGCCGCAAATCTGCGAGATATACCACGTCATCGAAGTTGTCGCCATTTTGGGTATCACGCTTTTTGTTCTTGGGTTTGCGGCCTCACCGGTTATCTATGCTCCTCTTTCTGAATTGTACGGTAGAAAGGGTGTTCTGGTTTTATCTGCGTTTGGATTTGCCCTTTTCCAATTTGCTGTCGCTACTGCTGAGAACCTGCAAACTATTTTCATATGTAGATTCTTTGGTGGTTTTATCGGGGCAGCACCCATGGCCGTCGTCCCCGCCGCGTTTGCCGACATGTTTGATACTAATGTTAGAGGTAAAGCCATTGCGCTATTTTCTCTAGGTGTTTTTGTAGGCCCCATTTTATCGCCTGTCATGGGTTCTTATATCGCACAAAGAACTACCTGGAGATGGTTAGAATATGTTGTCGGTTGTTTCGCTTCCGCAGTTTTCGTTGCCATCGTATTGTTCTTTGAAGAAACACATCACCCTACCATTTTGGTTAACAAGGCCAAACAGATGAGAAAGCAAAGTAATAACTGGGGTATTCATGCTGCTCATGAAGACGTGGAGCTATCCATCAAAGACATTGTCCAAAAAACTGTGACGAGGCCTATCATTATGCTTTTCGTGGAACCATTGCTACTATTCGTGACTATTTACAACTCTTTTGTCTACGGTATCTTGTATTTGTTACTGGAAGCCTACCCACTTGTCTTTGTGGAGGGTTATGGGTTTACTGAAAACGGTGAGTTGCCATACATCGCCTTGATTATCGGTATGATGGTGTGTGCTGCTTTCATTTGGTATATGGACAACGATTATTTGAAAAGATGTAGAGCCAAGGGGAAATTAGTGCCCGAGGCCAGATTGTACGCAATGGTCATTGCAGGTACCGTTTTCCCTATTGGTATCTTATGGTTCTGTTGGACGGGCTACTATCCTCACAAGATTCATTGGATGGTCCCCACAGTAGGAGGGGCCTTCATCGGGTTCGGTTTAATGGGTATTTTCTTGCCATGTTTAAACTATATCATTGAATCGTATCTATTGTTGGCAGCTTCTGCCGTCGCAGCAAACACTTTCATGAGGTCTGCATTTGGTGCATGCTTCCCATTGTTTGCAGGATATATGTTCCGTGGCATGGGTATCGGTTGGGCTGGTTTGTTATTAGGTCTATTTGCCGCTGCGATGATTCCCGTGCCTTTACTATTCTTAAAATATGGTGAATCTATCAGAAAGAAATCCAAGTATGCTTACGCCGCTTAA","protein_sequence":"MSDHSPISNKENHLLPSDSSRSSSSDMHSTGTTGTTGVEPVDFTGEGAKYTTATEGNGGADLAIQRTTTMNSAAESEVNITRRLTKILTGSVNEPDRVEVDYTNCAPMGGDRPYPPSLPSRDLYEVTFDGPNDPLHPFNWPMKKKVLLCLVLCLDSIAIAMCSSIFASAVPQICEIYHVIEVVAILGITLFVLGFAASPVIYAPLSELYGRKGVLVLSAFGFALFQFAVATAENLQTIFICRFFGGFIGAAPMAVVPAAFADMFDTNVRGKAIALFSLGVFVGPILSPVMGSYIAQRTTWRWLEYVVGCFASAVFVAIVLFFEETHHPTILVNKAKQMRKQSNNWGIHAAHEDVELSIKDIVQKTVTRPIIMLFVEPLLLFVTIYNSFVYGILYLLLEAYPLVFVEGYGFTENGELPYIALIIGMMVCAAFIWYMDNDYLKRCRAKGKLVPEARLYAMVIAGTVFPIGILWFCWTGYYPHKIHWMVPTVGGAFIGFGLMGIFLPCLNYIIESYLLLAASAVAANTFMRSAFGACFPLFAGYMFRGMGIGWAGLLLGLFAAAMIPVPLLFLKYGESIRKKSKYAYAA"}]}