1.0 2016-10-03 18:12:15 UTC 2020-05-11 19:13:51 UTC BMDB0010707 BMDB10707 CerP(d18:1/26:1(17Z)) Dihydrogen phosphate N-(17Z-Hexacosenoyl)-sphing-4-enine-1-phosphate [(e,2S,3R)-2-[[(Z)-Hexacos-17-enoyl]amino]-3-hydroxyicos-4-enyl] Ceramide phosphate N-(17Z-Hexacosenoyl)-1-phosphate-sphing-4-enine Ceramide phosphate(D18:1/26:1(17Z)) N-(17Z-Hexacosenoyl)-1-phosphate-sphingosine N-(17Z-Hexacosenoyl)-1-phosphate-D-erythro-sphingosine N-(17Z-Hexacosenoyl)-1-phosphate-4-sphingenine N-(17Z-Hexacosenoyl)-1-phosphate-D-sphingosine N-(17Z-Hexacosenoyl)-1-phosphate-sphingenine N-(17Z-Hexacosenoyl)-1-phosphate-erythro-4-sphingenine (17Z)-N-[(2S,3R,4E)-3-Hydroxy-1-(phosphonooxy)icos-4-en-2-yl]hexacos-17-enimidate C46H90NO6P 784.1837 783.650576129 {[(2S,3R,4E)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyicos-4-en-1-yl]oxy}phosphonic acid [(2S,3R,4E)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyicos-4-en-1-yl]oxyphosphonic acid CCCCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C46H90NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-46(49)47-44(43-53-54(50,51)52)45(48)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,39,41,44-45,48H,3-16,18,20-38,40,42-43H2,1-2H3,(H,47,49)(H2,50,51,52)/b19-17-,41-39+/t44-,45+/m0/s1 GYHZLVGNXJLGPV-PLQASZCNSA-N belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. Organic compounds Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids Phosphosphingolipids Carbonyl compounds Hydrocarbon derivatives Monoalkyl phosphates N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Phosphoethanolamines Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty amide Hydrocarbon derivative Monoalkyl phosphate N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoethanolamine Phosphoric acid ester Secondary alcohol Secondary carboxylic acid amide Sphingoid-1-phosphate or derivatives Aliphatic acyclic compounds Ceramide 1-phosphates Solid logp 10.01 ALOGPS logs -7.31 ALOGPS logp 15.55 ChemAxon pka_strongest_acidic 1.53 ChemAxon pka_strongest_basic 0.00068 ChemAxon iupac {[(2S,3R,4E)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyicos-4-en-1-yl]oxy}phosphonic acid ChemAxon average_mass 784.1837 ChemAxon mono_mass 783.650576129 ChemAxon smiles CCCCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C46H90NO6P ChemAxon inchi InChI=1S/C46H90NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-46(49)47-44(43-53-54(50,51)52)45(48)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,39,41,44-45,48H,3-16,18,20-38,40,42-43H2,1-2H3,(H,47,49)(H2,50,51,52)/b19-17-,41-39+/t44-,45+/m0/s1 ChemAxon inchikey GYHZLVGNXJLGPV-PLQASZCNSA-N ChemAxon polar_surface_area 116.09 ChemAxon refractivity 232.98 ChemAxon polarizability 102.04 ChemAxon rotatable_bond_count 43 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 3038729 Specdb::MsMs 3038730 Specdb::MsMs 3038731 Specdb::MsMs 3101372 Specdb::MsMs 3101373 Specdb::MsMs 3101374 Specdb::CMs 785539 Specdb::CMs 785540 Specdb::CMs 785541 Specdb::CMs 785542 Specdb::CMs 785543 Specdb::CMs 785544 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 17220996 FDB027857 16061332