CHEBI:184925 - PHOOA-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 PHOOA-PG
ChEBI ID CHEBI:184925
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H55O12P
Net Charge 0
Average Mass 638.732
Monoisotopic Mass 638.34311
InChI InChI=1S/C30H55O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(35)39-24-28(25-41-43(37,38)40-23-27(34)22-32)42-30(36)20-15-17-26(33)18-16-21-31/h16,18,21,26-28,32-34H,2-15,17,19-20,22-25H2,1H3,(H,37,38)/b18-16+/t26?,27-,28+/m0/s1
InChIKey WTQFXOBYEPMAGR-TUSCFLICSA-N
SMILES P(OC[C@H](OC(=O)CCCC(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 PHOOA-PG (CHEBI:184925) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxypropyl] hexadecanoate
Manual Xrefs Databases
113380956 ChemSpider
LMGP20060005 LIPID MAPS
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