1.0 2016-10-03 18:12:09 UTC 2020-05-11 19:13:47 UTC BMDB0010702 BMDB10702 CerP(d18:1/20:0) N-Eicosanoylsphing-4-enine-1-phosphate N-Eicosanoylsphingosine 1-phosphate N-Icosanoylsphing-4-enine-1-phosphate N-Eicosanoylsphing-4-enine-1-phosphoric acid N-Eicosanoylsphingosine 1-phosphoric acid N-Icosanoylsphing-4-enine-1-phosphoric acid Ceramide phosphate N-(Eicosanoyl)-1-phosphate-sphing-4-enine Ceramide phosphate(D18:1/20:0) N-(Eicosanoyl)-1-phosphate-sphingosine N-(Eicosanoyl)-1-phosphate-D-erythro-sphingosine N-(Eicosanoyl)-1-phosphate-4-sphingenine N-(Eicosanoyl)-1-phosphate-D-sphingosine N-(Eicosanoyl)-1-phosphate-sphingenine N-(Eicosanoyl)-1-phosphate-erythro-4-sphingenine N-(Eicosanoyl)-sphing-4-enine-1-phosphate [(e,2S,3R)-3-Hydroxy-2-(icosanoylamino)octadec-4-enyl] dihydrogen phosphate C38H76NO6P 673.9869 673.541025681 {[(2S,3R,4E)-3-hydroxy-2-icosanamidooctadec-4-en-1-yl]oxy}phosphonic acid C20 CerP CCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC InChI=1S/C38H76NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(41)39-36(35-45-46(42,43)44)37(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40H,3-30,32,34-35H2,1-2H3,(H,39,41)(H2,42,43,44)/b33-31+/t36-,37+/m0/s1 QDXTYNOQCQVNET-NUKVNZTCSA-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 N-acylsphingosine 1-phosphate Solid logp 9.07 ALOGPS logs -6.97 ALOGPS logp 12.36 ChemAxon pka_strongest_acidic 1.53 ChemAxon pka_strongest_basic 0.00068 ChemAxon iupac {[(2S,3R,4E)-3-hydroxy-2-icosanamidooctadec-4-en-1-yl]oxy}phosphonic acid ChemAxon average_mass 673.9869 ChemAxon mono_mass 673.541025681 ChemAxon smiles CCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC ChemAxon formula C38H76NO6P ChemAxon inchi InChI=1S/C38H76NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(41)39-36(35-45-46(42,43)44)37(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40H,3-30,32,34-35H2,1-2H3,(H,39,41)(H2,42,43,44)/b33-31+/t36-,37+/m0/s1 ChemAxon inchikey QDXTYNOQCQVNET-NUKVNZTCSA-N ChemAxon polar_surface_area 116.09 ChemAxon refractivity 195.05 ChemAxon polarizability 86.32 ChemAxon rotatable_bond_count 36 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 2819994 Specdb::MsMs 2819995 Specdb::MsMs 2819996 Specdb::MsMs 2889745 Specdb::MsMs 2889746 Specdb::MsMs 2889747 Specdb::CMs 704726 Specdb::CMs 704727 Specdb::CMs 704728 Specdb::CMs 704729 Specdb::CMs 704730 Specdb::CMs 704731 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 4446697 FDB027852 5283584 73140