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CHEBI:184741 - OKODA-PS

ChEBI IDCHEBI:184741
ChEBI NameOKODA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62NO12P
Net Charge0
Average Mass731.861
Monoisotopic Mass731.40096
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCC(=O)/C=C/C=O
InChIInChI=1S/C36H62NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-34(40)46-28-32(29-47-50(44,45)48-30-33(37)36(42)43)49-35(41)26-21-18-15-16-19-23-31(39)24-22-27-38/h9-10,22,24,27,32-33H,2-8,11-21,23,25-26,28-30,37H2,1H3,(H,42,43)(H,44,45)/b10-9-,24-22+/t32-,33+/m1/s1
InChIKeyGAHCNNRURRLORZ-FIXOGRQRSA-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)
OKODA-PS (CHEBI:184741) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(E)-9,12-dioxododec-10-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
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