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CHEBI:186508 - OA-PS

Default Structure
ChEBI IDCHEBI:186508
ChEBI NameOA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H60NO12P
Net Charge0
Average Mass693.812
Monoisotopic Mass693.38531
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C33H60NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-31(37)43-25-28(26-44-47(41,42)45-27-29(34)33(39)40)46-32(38)24-21-18-15-16-19-22-30(35)36/h9-10,28-29H,2-8,11-27,34H2,1H3,(H,35,36)(H,39,40)(H,41,42)/b10-9-/t28-,29+/m1/s1
InChIKeyJSPIZDHQQLEUMP-BDZCPYMJSA-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)
OA-PS (CHEBI:186508) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
9-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-9-oxononanoic acid
Manual XrefsDatabases
113380902ChemSpider
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