CHEBI:187376 - PHOOA-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 PHOOA-PA
ChEBI ID CHEBI:187376
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H49O10P
Net Charge 0
Average Mass 564.653
Monoisotopic Mass 564.30633
InChI InChI=1S/C27H49O10P/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/h16,18,21,24-25,29H,2-15,17,19-20,22-23H2,1H3,(H2,32,33,34)/b18-16+/t24?,25-/m1/s1
InChIKey CBAXRHWCQNAQGB-IQBDFAPESA-N
SMILES P(OC[C@H](OC(=O)CCCC(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 )
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ChEBI Ontology
Outgoing PHOOA-PA (CHEBI:187376) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxy-3-phosphonooxypropyl] hexadecanoate
Manual Xrefs Databases
113380992 ChemSpider
LMGP20070005 LIPID MAPS
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