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CHEBI:179127 - PS(22:2(13Z,16Z)/12:0)

ChEBI IDCHEBI:179127
ChEBI NamePS(22:2(13Z,16Z)/12:0)
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FormulaC40H74NO10P
Net Charge0
Average Mass760.003
Monoisotopic Mass759.50503
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-23-12-10-8-6-4-2/h11,13,15-16,36-37H,3-10,12,14,17-35,41H2,1-2H3,(H,44,45)(H,46,47)/b13-11-,16-15-/t36-,37+/m1/s1
InChIKeyNOXPDQGPUMVENL-KXVCYRQLSA-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)/12:0) (CHEBI:179127) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-dodecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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