CHEBI:187291 - PKODA-PG

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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 PKODA-PG
ChEBI ID CHEBI:187291
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H61O12P
Net Charge 0
Average Mass 692.824
Monoisotopic Mass 692.39006
InChI InChI=1S/C34H61O12P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-33(39)43-28-32(29-45-47(41,42)44-27-31(38)26-36)46-34(40)24-19-16-13-14-17-21-30(37)22-20-25-35/h20,22,25,31-32,36,38H,2-19,21,23-24,26-29H2,1H3,(H,41,42)/b22-20+/t31-,32+/m0/s1
InChIKey RFBFIDYTYDLLIU-QGKLTKKDSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(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
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PKODA-PG (CHEBI:187291) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-9,12-dioxododec-10-enoyl]oxypropyl] hexadecanoate
Manual Xrefs Databases
113380953 ChemSpider
LMGP20060002 LIPID MAPS
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