CHEBI:85376 - N-octanoylsphingosine 1-phosphate(2−)

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ChEBI Name N-octanoylsphingosine 1-phosphate(2−) ChEBI ID CHEBI:85376 ChEBI ASCII Name N-octanoylsphingosine 1-phosphate(2-) Definition An N-acylsphingosine 1-phosphate(2−) in which the N-acyl group is specified as octanoyl; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H50NO6P Net Charge -2 Average Mass 503.65320 Monoisotopic Mass 503.33867 InChI InChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/p-2/b21-19+/t24-,25+/m0/s1 InChIKey VSSNYUXSRXINIP-WRBRXSDHSA-L SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCC Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via N-acylsphingosine 1-phosphate(2-) ) View more via ChEBI Ontology ChEBI Ontology Outgoing N-octanoylsphingosine 1-phosphate(2−) (CHEBI:85376) is a N-acylsphingosine 1-phosphate(2−) (CHEBI:57674) N-octanoylsphingosine 1-phosphate(2−) (CHEBI:85376) is conjugate base of N-octanoylsphingosine 1-phosphate (CHEBI:85881) Incoming N-octanoylsphingosine 1-phosphate (CHEBI:85881) is conjugate acid of N-octanoylsphingosine 1-phosphate(2−) (CHEBI:85376) IUPAC Name (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl phosphate Synonyms Sources C8:0-C1P(2−) SUBMITTER Cer-1-P(d18:1/8:0)(2−) SUBMITTER N-(octanoyl)-sphing-4-enine-1-phosphate UniProt N-octanoylsphing-4-enine 1-phosphate(2−) ChEBI Citation Type Source 23863933 PubMed citation SUBMITTER Last Modified 26 May 2015