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

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ChEBI Name N-octadecanoylsphingosine 1-phosphate(2−)
ChEBI ID CHEBI:72964
ChEBI ASCII Name N-octadecanoylsphingosine 1-phosphate(2-)
Definition A N-acylsphingosine 1-phosphate(2−) in which the N-acyl group is specified as octadecanoyl (stearoyl).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C36H70NO6P
Net Charge -2
Average Mass 643.91790
Monoisotopic Mass 643.49517
InChI InChI=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
InChIKey ZQQLMECVOXKFJK-NXCSZAMKSA-L
SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC
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-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 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 Sources
CerP(d18:1/18:0) SUBMITTER
N-(octadecanoyl)sphing-4-enine 1-phosphate SUBMITTER
N-octadecanoylsphing-4-enine 1-phosphate SUBMITTER
N-stearoylsphing-4-enine 1-phosphate(2−) ChEBI
N-stearoylsphingosine 1-phosphate(2−) ChEBI
Last Modified
11 April 2013