CHEBI:186995 - PKOHA-PA

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ChEBI Name PKOHA-PA
ChEBI ID CHEBI:186995
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H45O10P
Net Charge 0
Average Mass 548.610
Monoisotopic Mass 548.27503
InChI InChI=1S/C26H45O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(29)34-21-24(22-35-37(31,32)33)36-26(30)19-18-23(28)16-15-20-27/h15-16,20,24H,2-14,17-19,21-22H2,1H3,(H2,31,32,33)/b16-15+/t24-/m1/s1
InChIKey UQYMHPQBZYKYNN-RFAWQRTRSA-N
SMILES P(OC[C@H](OC(=O)CCC(=O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(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
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 PKOHA-PA (CHEBI:186995) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(E)-4,7-dioxohept-5-enoyl]oxy-3-phosphonooxypropyl] hexadecanoate
Manual Xrefs Databases
113380997 ChemSpider
LMGP20070010 LIPID MAPS
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