{"ymdb_id":"YMDB00763","created_at":"2011-05-29T18:50:58.000Z","updated_at":"2016-09-08T18:35:52.000Z","name":"2-hydroxyhexadecanal","cas":null,"state":null,"melting_point":null,"description":"2-Hydroxyhexadecanal is a lipid oxidation product.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"endoplasmic reticulum","synthesis_reference":null,"chebi_id":"50626","hmdb_id":null,"kegg_id":null,"pubchem_id":"18987871","cs_id":"21231964","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-hydroxyhexadecanal","traditional_iupac":"2-hydroxyhexadecanal","logp":"5.2269006046666675","pka":null,"alogps_solubility":"1.35e-03 g/l","alogps_logp":"5.85","alogps_logs":"-5.28","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"14","polar_surface_area":"37.3","refractivity":"77.65039999999999","polarizability":"34.178478742865025","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.399023522918875","pka_strongest_acidic":"13.625963501833048","bioavailability":"0","number_of_rings":"0","rule_of_five":"0","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"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":10900202,"citation":"Mao, C., Xu, R., Bielawska, A., Szulc, Z. M., Obeid, L. M. (2000). \"Cloning and characterization of a Saccharomyces cerevisiae alkaline ceramidase with specificity for dihydroceramide.\" J Biol Chem 275:31369-31378."}],"proteins":[{"created_at":"2011-05-27T02:15:17.000Z","updated_at":"2011-05-27T15:01:17.000Z","name":"Sphingosine-1-phosphate lyase","uniprot_id":"Q05567","uniprot_name":"SGPL_YEAST","enzyme":true,"transporter":false,"gene_name":"DPL1","num_residues":589,"molecular_weight":"65565.10156","theoretical_pi":"8.15","general_function":"Involved in carboxy-lyase activity","specific_function":"Cleaves phosphorylated sphingoid bases (PSBs), such as sphingosine-1-phosphate, into fatty aldehydes and phosphoethanolamine","reactions":[{"id":1895,"direction":"\u003e","locations":"endoplasmic reticulum","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1972,"direction":"\u003e","locations":"endoplasmic reticulum","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2666,"direction":"\u003e","locations":null,"altext":"Sphinganine 1-phosphate = phosphoethanolamine + palmitaldehyde.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"U51031","genbank_protein_id":"1230658","gene_card_id":"DPL1","chromosome_location":"chromosome 4","locus":"YDR294C","synonyms":["SP-lyase","ySPL","Bestowed of sphingosine tolerance 1","Sphingosine-1-phosphate aldolase"],"enzyme_classes":["4.1.2.27"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" carboxy-lyase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" organic acid metabolic process"},{"category":"Process","description":" oxoacid metabolic process"},{"category":"Process","description":" carboxylic acid metabolic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Pyridoxal_deC","identifier":"PF00282"}],"pathways":[{"name":"Sphingolipid metabolism","kegg_map_id":"00600"}],"gene_sequence":"ATGAGTGGAGTATCAAATAAAACAGTATCAATTAATGGTTGGTATGGCATGCCAATTCATTTACTAAGGGAAGAAGGCGACTTTGCCCAGTTTATGATTCTAACCATCAACGAATTAAAAATAGCCATACATGGTTACCTCAGAAATACCCCATGGTACAACATGTTGAAGGATTATTTGTTTGTGATCTTTTGTTACAAGCTAATAAGTAATTTTTTTTATCTGTTGAAAGTTTATGGGCCGGTGAGGTTAGCAGTGAGAACATACGAGCATAGTTCCAGAAGATTGTTTCGTTGGTTATTGGACTCACCATTTTTGAGGGGTACCGTAGAAAAGGAAGTCACAAAGGTCAAACAATCGATCGAAGACGAACTAATTAGATCGGACTCTCAGTTAATGAATTTCCCACAGTTGCCATCCAATGGGATACCTCAGGATGATGTTATTGAAGAGCTAAATAAATTGAACGACTTGATACCACATACCCAATGGAAGGAAGGAAAGGTCTCTGGTGCCGTTTACCACGGTGGTGATGATTTGATCCACTTACAAACAATCGCATACGAAAAATATTGCGTTGCCAATCAATTACATCCCGATGTCTTTCCTGCCGTACGTAAAATGGAATCCGAAGTGGTTTCTATGGTTTTAAGAATGTTTAATGCCCCTTCTGATACAGGTTGTGGTACCACAACTTCAGGTGGTACAGAATCCTTGCTTTTAGCATGTCTGAGCGCTAAAATGTATGCCCTTCATCATCGTGGAATCACCGAACCAGAAATAATTGCTCCCGTAACTGCACATGCTGGGTTTGACAAAGCTGCTTATTACTTTGGCATGAAGCTACGCCACGTGGAGCTAGATCCAACGACATATCAAGTGGACCTGGGAAAAGTGAAAAAATTCATCAATAAGAACACAATTTTACTGGTCGGTTCCGCTCCAAACTTTCCTCATGGTATTGCCGATGATATTGAAGGATTGGGTAAAATAGCACAAAAATATAAACTTCCTTTACACGTCGACAGTTGTCTAGGTTCCTTTATTGTTTCATTTATGGAAAAGGCTGGTTACAAAAATCTGCCATTACTTGACTTTAGAGTCCCGGGAGTCACCTCAATATCATGTGACACTCATAAATATGGATTTGCACCAAAAGGCTCGTCAGTTATAATGTATAGAAACAGCGACTTACGAATGCATCAGTATTACGTAAATCCTGCTTGGACTGGCGGGTTATATGGCTCTCCTACATTAGCAGGGTCCAGGCCTGGTGCTATTGTCGTAGGTTGTTGGGCCACTATGGTCAACATGGGTGAAAATGGGTACATTGAGTCGTGCCAAGAAATAGTCGGTGCAGCAATGAAGTTTAAAAAATACATCCAGGAAAACATTCCAGACCTGAATATAATGGGCAACCCTAGATATTCAGTCATTTCATTTTCTTCAAAGACCTTGAACATACACGAACTATCTGACAGGTTGTCCAAGAAAGGCTGGCATTTCAATGCCCTACAAAAGCCGGTTGCACTACACATGGCCTTCACGAGATTGAGCGCTCATGTTGTGGATGAGATCTGCGACATTTTACGTACTACCGTGCAAGAGTTGAAGAGCGAATCAAATTCTAAACCATCCCCAGACGGAACTAGCGCTCTATATGGTGTCGCCGGGAGCGTTAAAACTGCTGGCGTTGCAGACAAATTGATTGTGGGATTCCTAGACGCATTATACAAGTTGGGTCCAGGAGAGGATACCGCCACCAAGTAG","protein_sequence":"MSGVSNKTVSINGWYGMPIHLLREEGDFAQFMILTINELKIAIHGYLRNTPWYNMLKDYLFVIFCYKLISNFFYLLKVYGPVRLAVRTYEHSSRRLFRWLLDSPFLRGTVEKEVTKVKQSIEDELIRSDSQLMNFPQLPSNGIPQDDVIEELNKLNDLIPHTQWKEGKVSGAVYHGGDDLIHLQTIAYEKYCVANQLHPDVFPAVRKMESEVVSMVLRMFNAPSDTGCGTTTSGGTESLLLACLSAKMYALHHRGITEPEIIAPVTAHAGFDKAAYYFGMKLRHVELDPTTYQVDLGKVKKFINKNTILLVGSAPNFPHGIADDIEGLGKIAQKYKLPLHVDSCLGSFIVSFMEKAGYKNLPLLDFRVPGVTSISCDTHKYGFAPKGSSVIMYRNSDLRMHQYYVNPAWTGGLYGSPTLAGSRPGAIVVGCWATMVNMGENGYIESCQEIVGAAMKFKKYIQENIPDLNIMGNPRYSVISFSSKTLNIHELSDRLSKKGWHFNALQKPVALHMAFTRLSAHVVDEICDILRTTVQELKSESNSKPSPDGTSALYGVAGSVKTAGVADKLIVGFLDALYKLGPGEDTATK"}]}