CHEBI:187278 - OKDdiA-PS

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name OKDdiA-PS
ChEBI ID CHEBI:187278
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H62NO13P
Net Charge 0
Average Mass 747.860
Monoisotopic Mass 747.39588
InChI InChI=1S/C36H62NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-34(41)47-27-31(28-48-51(45,46)49-29-32(37)36(43)44)50-35(42)24-21-18-15-16-19-22-30(38)25-26-33(39)40/h9-10,25-26,31-32H,2-8,11-24,27-29,37H2,1H3,(H,39,40)(H,43,44)(H,45,46)/b10-9-,26-25+/t31-,32+/m1/s1
InChIKey WBWTWUZHYUOEGI-WUOSZTNESA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidyl-L-serine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing OKDdiA-PS (CHEBI:187278) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(E)-12-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4,12-dioxododec-2-enoic acid
Manual Xrefs Databases
113380912 ChemSpider
LMGP20040034 LIPID MAPS
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