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CHEBI:230328 - PS(18:2(9Z,11E)+=O(13)/18:0)

ChEBI IDCHEBI:230328
ChEBI NamePS(18:2(9Z,11E)+=O(13)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H76NO11P
Net Charge0
Average Mass802.040
Monoisotopic Mass801.51560
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C=C\C(=O)CCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C42H76NO11P/c1-3-5-7-8-9-10-11-12-13-14-15-18-22-25-29-33-41(46)54-38(35-52-55(49,50)53-36-39(43)42(47)48)34-51-40(45)32-28-24-21-19-16-17-20-23-27-31-37(44)30-26-6-4-2/h20,23,27,31,38-39H,3-19,21-22,24-26,28-30,32-36,43H2,1-2H3,(H,47,48)(H,49,50)/b23-20-,31-27+/t38-,39+/m1/s1
InChIKeyLNOJZRWQYADFQF-YOYUBUCZSA-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(18:2(9Z,11E)+=O(13)/18:0) (CHEBI:230328) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-octadecanoyloxy-3-[(9Z,11E)-13-oxooctadeca-9,11-dienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0281371HMDB