Terminology Service for NFDI4Health
N-octadecanoylsphingosine 1-phosphate(2-)
Go to external page
http://purl.obolibrary.org/obo/CHEBI_72964
A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as octadecanoyl (stearoyl).
Term info
Label
N-octadecanoylsphingosine 1-phosphate(2-)
Synonyms
- (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl phosphate
Subsets
3_STAR
charge
-2
formula
C36H70NO6P
has obo namespace
chebi_ontology
has related synonym
N-stearoylsphingosine 1-phosphate(2-), N-octadecanoylsphing-4-enine 1-phosphate, N-(octadecanoyl)sphing-4-enine 1-phosphate, N-stearoylsphing-4-enine 1-phosphate(2-), CerP(d18:1/18:0)
id
CHEBI:72964
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
mass
643.91790
monoisotopicmass
643.49517
smiles
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC