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CHEBI:187607 - PS(18:3(9Z,12Z,15Z)/19:0)

ChEBI IDCHEBI:187607
ChEBI NamePS(18:3(9Z,12Z,15Z)/19:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO10P
Net Charge0
Average Mass800.068
Monoisotopic Mass799.53633
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,39-40H,3-5,7,9-11,13,15-17,19,21-38,44H2,1-2H3,(H,47,48)(H,49,50)/b8-6-,14-12-,20-18-/t39-,40+/m1/s1
InChIKeyKDNNJQZLFWDXMG-YQCNTNRBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(18:3(9Z,12Z,15Z)/19:0) (CHEBI:187607) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-nonadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376309ChemSpider
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