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CHEBI:178641 - PS(22:2(13Z,16Z)/14:0)

ChEBI IDCHEBI:178641
ChEBI NamePS(22:2(13Z,16Z)/14:0)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H78NO10P
Net Charge0
Average Mass788.057
Monoisotopic Mass787.53633
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,38-39H,3-10,12,14-15,18-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,17-16-/t38-,39+/m1/s1
InChIKeyWUYWGUMWHYNCES-OAWFJHOXSA-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(22:2(13Z,16Z)/14:0) (CHEBI:178641) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876204ChemSpider
HMDB0112761HMDB
LMGP03010758LIPID MAPS