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CHEBI:72967 - N-eicosanoylsphingosine 1-phosphate(2−)

ChEBI IDCHEBI:72967
ChEBI NameN-eicosanoylsphingosine 1-phosphate(2−)
Stars
ASCII NameN-eicosanoylsphingosine 1-phosphate(2-)
DefinitionA ceramide 1-phosphate(2−) in which the N-acyl group is specified as eicosanoyl.
Last Modified10 April 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC38H74NO6P
Net Charge-2
Average Mass671.985
Monoisotopic Mass671.52647
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])[O-])NC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=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)/p-2/b33-31+/t36-,37+/m0/s1
InChIKeyQDXTYNOQCQVNET-NUKVNZTCSA-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-eicosanoylsphingosine 1-phosphate(2−) (CHEBI:72967) is a N-acylsphingosine 1-phosphate(2−) (CHEBI:57674)
N-eicosanoylsphingosine 1-phosphate(2−) (CHEBI:72967) is conjugate base of N-icosanoylsphingosine 1-phosphate (CHEBI:73140)
Incoming Relation(s)
N-icosanoylsphingosine 1-phosphate (CHEBI:73140) is conjugate acid of N-eicosanoylsphingosine 1-phosphate(2−) (CHEBI:72967)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(icosanoylamino)octadec-4-en-1-yl phosphate
Synonyms  Source
CerP(d18:1/20:0)SUBMITTER
N-eicosanoylsphing-4-enine-1-phosphateSUBMITTER
N-(eicosanoyl)sphing-4-enine-1-phosphateSUBMITTER
N-icosanoylsphingosine 1-phosphate(2−)ChEBI
N-icosanoylsphing-4-enine-1-phosphate(2−)ChEBI