CHEBI:184284 - PKOHA-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 PKOHA-PG
ChEBI ID CHEBI:184284
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H51O12P
Net Charge 0
Average Mass 622.689
Monoisotopic Mass 622.31181
InChI InChI=1S/C29H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28(34)38-23-27(24-40-42(36,37)39-22-26(33)21-31)41-29(35)19-18-25(32)16-15-20-30/h15-16,20,26-27,31,33H,2-14,17-19,21-24H2,1H3,(H,36,37)/b16-15+/t26-,27+/m0/s1
InChIKey JOPYDPZCXIRCRB-LSZUOZHKSA-N
SMILES P(OC[C@H](OC(=O)CCC(=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 serum (BTO:0001239). 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 PKOHA-PG (CHEBI:184284) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-4,7-dioxohept-5-enoyl]oxypropyl] hexadecanoate
Manual Xrefs Databases
113380961 ChemSpider
LMGP20060010 LIPID MAPS
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