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CHEBI:72964 - N-octadecanoylsphingosine 1-phosphate(2−)

ChEBI IDCHEBI:72964
ChEBI NameN-octadecanoylsphingosine 1-phosphate(2−)
Stars
ASCII NameN-octadecanoylsphingosine 1-phosphate(2-)
DefinitionA N-acylsphingosine 1-phosphate(2−) in which the N-acyl group is specified as octadecanoyl (stearoyl).
Last Modified11 April 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC36H70NO6P
Net Charge-2
Average Mass643.931
Monoisotopic Mass643.49517
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])[O-])NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H72NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38H,3-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/p-2/b31-29+/t34-,35+/m0/s1
InChIKeyZQQLMECVOXKFJK-NXCSZAMKSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-octadecanoylsphingosine 1-phosphate(2−) (CHEBI:72964) is a N-acylsphingosine 1-phosphate(2−) (CHEBI:57674)
N-octadecanoylsphingosine 1-phosphate(2−) (CHEBI:72964) is conjugate base of N-octadecanoylsphingosine 1-phosphate (CHEBI:73144)
Incoming Relation(s)
N-octadecanoylsphingosine 1-phosphate (CHEBI:73144) is conjugate acid of N-octadecanoylsphingosine 1-phosphate(2−) (CHEBI:72964)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl phosphate
Synonyms  Source
CerP(d18:1/18:0)SUBMITTER
N-octadecanoylsphing-4-enine 1-phosphateSUBMITTER
N-(octadecanoyl)sphing-4-enine 1-phosphateSUBMITTER
N-stearoylsphing-4-enine 1-phosphate(2−)ChEBI
N-stearoylsphingosine 1-phosphate(2−)ChEBI