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CHEBI:72969 - N-docosanoylsphingosine-1-phosphate(2−)

ChEBI IDCHEBI:72969
ChEBI NameN-docosanoylsphingosine-1-phosphate(2−)
Stars
ASCII NameN-docosanoylsphingosine-1-phosphate(2-)
DefinitionA ceramide 1-phosphate(2−) in which the ceramide N-acyl group is specified as docosanoyl.
Last Modified9 April 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC40H78NO6P
Net Charge-2
Average Mass700.039
Monoisotopic Mass699.55777
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])[O-])NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H80NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(43)41-38(37-47-48(44,45)46)39(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42H,3-32,34,36-37H2,1-2H3,(H,41,43)(H2,44,45,46)/p-2/b35-33+/t38-,39+/m0/s1
InChIKeyZRTZYMMYLZPKEQ-GLQCRSEXSA-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-docosanoylsphingosine-1-phosphate(2−) (CHEBI:72969) is a N-acylsphingosine 1-phosphate(2−) (CHEBI:57674)
N-docosanoylsphingosine-1-phosphate(2−) (CHEBI:72969) is conjugate base of N-docosanoylsphingosine-1-phosphate (CHEBI:73138)
Incoming Relation(s)
N-docosanoylsphingosine-1-phosphate (CHEBI:73138) is conjugate acid of N-docosanoylsphingosine-1-phosphate(2−) (CHEBI:72969)
IUPAC Name 
(2S,3R,4E)-2-(docosanoylamino)-3-hydroxyoctadec-4-en-1-yl phosphate
Synonyms  Source
CerP(d18:1/22:0)SUBMITTER
N-docosanoylsphing-4-enine-1-phosphateSUBMITTER
N-(docosanoyl)sphing-4-enine-1-phosphateSUBMITTER