EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179122 - PS(17:0/17:2(9Z,12Z))

ChEBI IDCHEBI:179122
ChEBI NamePS(17:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74NO10P
Net Charge0
Average Mass760.003
Monoisotopic Mass759.50503
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,36-37H,3-9,11,13-15,17,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,18-16-/t36-,37+/m1/s1
InChIKeyWMHYXHCGCVISIK-RVTLCWJJSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PS(17:0/17:2(9Z,12Z)) (CHEBI:179122) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP03010232LIPID MAPS