CHEBI:169757 - PKOOA-PA

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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 PKOOA-PA
ChEBI ID CHEBI:169757
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H47O10P
Net Charge 0
Average Mass 562.637
Monoisotopic Mass 562.29068
InChI InChI=1S/C27H47O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(30)35-22-25(23-36-38(32,33)34)37-27(31)20-15-17-24(29)18-16-21-28/h16,18,21,25H,2-15,17,19-20,22-23H2,1H3,(H2,32,33,34)/b18-16+/t25-/m1/s1
InChIKey ILTIRVQFOVFJLY-QQDPUAARSA-N
SMILES P(OC[C@H](OC(=O)CCCC(=O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PKOOA-PA (CHEBI:169757) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-phosphonooxypropyl] hexadecanoate
Manual Xref Database
LMGP20070006 LIPID MAPS
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