{"ymdb_id":"YMDB00713","created_at":"2011-05-29T18:45:53.000Z","updated_at":"2016-09-08T18:35:48.000Z","name":"inositol phosphomannosylinositol phosphoceramide","cas":null,"state":null,"melting_point":null,"description":"Inositol phosphomannosylinositol phosphoceramide is an intermediate in the sphingolipid metabolism pathway. Sphingolipids are essential components of the plasma membrane in all eukaryotic cells. S. cerevisiae cells make three complex sphingolipids: inositol-phosphoceramide (IPC), mannose-inositol-phosphoceramide (MIPC), and mannosyl-diinositol-phosphorylceramide (M(IP)2C). [Biocyc SPHINGOLIPID-SYN-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Golgi;cytoplasm","synthesis_reference":null,"chebi_id":"53005","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"23107105","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(2S,3S,4R)-3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}({[(1S,2R,3R,4S,5S,6R)-3-{[(2S,3S,4R,5S,6R)-3,4-dihydroxy-5-{[hydroxy({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4,5,6-tetrahydroxycyclohexyl]oxy})phosphinic acid","traditional_iupac":"[(2S,3S,4R)-3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy[(1S,2R,3R,4S,5S,6R)-3-{[(2S,3S,4R,5S,6R)-3,4-dihydroxy-5-({hydroxy[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl}oxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4,5,6-tetrahydroxycyclohexyl]oxyphosphinic acid","logp":"5.782175033000004","pka":"2.111783488167197","alogps_solubility":"4.55e-02 g/l","alogps_logp":"3.87","alogps_logs":"-4.47","acceptor_count":"22","donor_count":"18","rotatable_bond_count":"52","polar_surface_area":"462.53000000000014","refractivity":"331.8278999999998","polarizability":"151.4996814006645","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-3.666899846392403","pka_strongest_acidic":"1.507151587312241","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["Mannose-(inositol phosphate)2-ceramide","MIP2C"],"pathways":[],"growth_conditions":[],"references":[{"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":18407956,"citation":"Albuquerque, C. P., Smolka, M. B., Payne, S. H., Bafna, V., Eng, J., Zhou, H. (2008). \"A multidimensional chromatography technology for in-depth phosphoproteome analysis.\" Mol Cell Proteomics 7:1389-1396."},{"pubmed_id":17563356,"citation":"Smolka, M. B., Albuquerque, C. P., Chen, S. H., Zhou, H. (2007). \"Proteome-wide identification of in vivo targets of DNA damage checkpoint kinases.\" Proc Natl Acad Sci U S A 104:10364-10369."},{"pubmed_id":12484746,"citation":"Funato, K., Vallee, B., Riezman, H. (2002). \"Biosynthesis and trafficking of sphingolipids in the yeast Saccharomyces cerevisiae.\" Biochemistry 41:15105-15114."}],"proteins":[{"created_at":"2011-05-27T09:29:15.000Z","updated_at":"2011-05-27T15:01:30.000Z","name":"Inositolphosphotransferase 1","uniprot_id":"P38954","uniprot_name":"IPT1_YEAST","enzyme":true,"transporter":false,"gene_name":"IPT1","num_residues":527,"molecular_weight":"60872.69922","theoretical_pi":"8.0","general_function":"Involved in catalytic activity","specific_function":"Catalyzes the addition of a phosphorylinositol group onto mannosyl phosphorylinositol ceramide to form mannosyl diphosphorylinositol ceramide","reactions":[{"id":1665,"direction":"\u003c\u003e","locations":"Golgi","altext":null,"export":true,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"25-45;100-120;153-173;191-211;220-240;289-309;436-456;462-482","pdb_id":null,"cellular_location":"Membrane; Multi-pass membrane protein (Potential)","genbank_gene_id":"AF022365","genbank_protein_id":"2465787","gene_card_id":"IPT1","chromosome_location":"chromosome 4","locus":"YDR072C","synonyms":["Mannosyl diphosphorylinositol ceramide synthase"],"enzyme_classes":["2.-.-.-"],"go_classes":[{"category":"Component","description":" membrane"},{"category":"Component","description":" cell part"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"PAP2","identifier":"PF01569"}],"pathways":[],"gene_sequence":"ATGAATGTCATATTTTCTTTGGCGAGTTTCGTCAAAAACATGTATAATGCAAGTTTGAACCAACGTAATCTAATAAGCCTGCCGTTCAACTTCATGCTTAATTTTGCGCCAGTGTTTATTTGGCTGTCTATATTCAAGCGCGCTGGTCTGATACCCATAAGGCTCAGACCTGACATTCATAGCAAGTTTGCTTTTTTTGCTGATCAATTCCTCTTTGGGGACTATTGGCATGAACTTACTGTACAATTGCCCGATAATACTTCGAAGCTATTTTTCTGGTCATTCATATCATCTTCTGCATTTCTCTTAGTATTTCTGATATGTATTCCCTTTGCCATTTGGTACTACATCTATTACATTAAGCACGTTAACTATAATCTGTTAGAGTGGTTCGCAAATATTTTTCATTACCCCTGCAAGCGCAAGCAGCGGCCGATCCAAAAGAGATTTCGGACAATTTTCATACCGTTTGCCTTGCCCCTGTTTACATTTGTTATACTCAACATTGATCATTTCTTTGCTTACCAGTCGGATGCAAACTTTACTAAGACCAAGGATTTACTGGCTTGGTTCTCCTATGTCATCCTGCACTTGACAGCTCCAATTTTAACAGCTGTATACTTATACGTCTTCCAACCACCGGGGACTTTAAAATGCTTTAGTTTTGCCCTAGGATTACAAAATATAGCGGGGGTCCTTACCCATCTGCTTGTTCCAATGGCCTCCCCATGGTTTACTCATCTGTACGGTATTGATGACACCGAACATGTTAATTACACCCAGGAAGGGTTTGCTGCCGGTTTGATAAGAGTAGATAGCCATTTGGGTACTCATTTGAACACTAAAGGATTTCACATGTCTCCTATTGTGTTTGGTGCTGTTCCTTCACTACACTCCGCCATTGCATTTCAATGTTTCTTGTTTTTGGTTTCAAGGTCCACCAGCTTAAAACACAGATTTTCCAATGCTGGAGGTTTCACAATGCACAATAATGATTCTTCCACTTTCAAGTTGAGTGAGGAAGACAGCGAAGATGAAGGTGACAATAGCATACCGCCCACGATTGGCCCTAACGACTTAGAGATGGAACCATTGGGTACCGTTGAGCCTGTAGATATTTCAAATGAGCGGTCCTCCTCCCCTTCATCTTCATTCACCGTATCCAGTAATGAAAGAAGCACCGGCGGCGGCGACGGCAGCATTATTAACAGCAATGGCAATAAGAAACCTCTCCAGTTTGTCCATTTATATGATGAAGACACGAACTTCACAAACAAATGGATTTTTAAAATAGTCAACGATGGGTTTATACCAAAATTCTGGGCTATCCTATATATAATACTACAATGGTGGGCTACCATGTATCTGGACCACCATTATAGATTTGACCTTTTCGTTGGTGTTTTATATGCAATGACAAGTTTCATCATCATAAACTGGTTTGTTTTACAACCAAAAGTTTTAAAAAAGTGGATTCATATAAGGTTAGGCGACAAAGTGGATACAAGAAACGAAGCTCGCACTTTTGGCATGAGAGTATTTTGTGGCACCAAGATGGAATGGTTTTTTGATCCGCTTGCATAG","protein_sequence":"MNVIFSLASFVKNMYNASLNQRNLISLPFNFMLNFAPVFIWLSIFKRAGLIPIRLRPDIHSKFAFFADQFLFGDYWHELTVQLPDNTSKLFFWSFISSSAFLLVFLICIPFAIWYYIYYIKHVNYNLLEWFANIFHYPCKRKQRPIQKRFRTIFIPFALPLFTFVILNIDHFFAYQSDANFTKTKDLLAWFSYVILHLTAPILTAVYLYVFQPPGTLKCFSFALGLQNIAGVLTHLLVPMASPWFTHLYGIDDTEHVNYTQEGFAAGLIRVDSHLGTHLNTKGFHMSPIVFGAVPSLHSAIAFQCFLFLVSRSTSLKHRFSNAGGFTMHNNDSSTFKLSEEDSEDEGDNSIPPTIGPNDLEMEPLGTVEPVDISNERSSSPSSSFTVSSNERSTGGGDGSIINSNGNKKPLQFVHLYDEDTNFTNKWIFKIVNDGFIPKFWAILYIILQWWATMYLDHHYRFDLFVGVLYAMTSFIIINWFVLQPKVLKKWIHIRLGDKVDTRNEARTFGMRVFCGTKMEWFFDPLA"}]}