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CHEBI:184629 - PKOOA-PS

ChEBI IDCHEBI:184629
ChEBI NamePKOOA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52NO12P
Net Charge0
Average Mass649.715
Monoisotopic Mass649.32271
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCC(=O)/C=C/C=O
InChIInChI=1S/C30H52NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-28(34)40-22-26(23-41-44(38,39)42-24-27(31)30(36)37)43-29(35)20-15-17-25(33)18-16-21-32/h16,18,21,26-27H,2-15,17,19-20,22-24,31H2,1H3,(H,36,37)(H,38,39)/b18-16+/t26-,27+/m1/s1
InChIKeyJPICCZKFIKMBKW-YKTDOQSASA-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)
PKOOA-PS (CHEBI:184629) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113380884ChemSpider
LMGP20040006LIPID MAPS