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CHEBI:230166 - PS(16:0/18:3(9Z,12Z,15Z))

Default Structure
ChEBI IDCHEBI:230166
ChEBI NamePS(16:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H72NO10P
Net Charge0
Average Mass757.987
Monoisotopic Mass757.48938
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C40H72NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37H,3-4,6,8-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,18-17-/t36-,37+/m1/s1
InChIKeyGRXQVLCZJYBDDD-HPYWTVDESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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(16:0/18:3(9Z,12Z,15Z)) (CHEBI:230166) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
35032461ChemSpider
HMDB0012359HMDB
LMGP03010969LIPID MAPS