CHEBI:186107 - OOB-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 OOB-PA
ChEBI ID CHEBI:186107
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H45O9P
Net Charge 0
Average Mass 520.600
Monoisotopic Mass 520.28012
InChI InChI=1S/C25H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24(27)32-21-23(22-33-35(29,30)31)34-25(28)19-17-20-26/h9-10,20,23H,2-8,11-19,21-22H2,1H3,(H2,29,30,31)/b10-9-/t23-/m1/s1
InChIKey LRGUKMWMPRQYIR-DJYGDJEFSA-N
SMILES P(OC[C@H](OC(=O)CCC=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(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 OOB-PA (CHEBI:186107) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-(4-oxobutanoyloxy)-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Manual Xrefs Databases
113381006 ChemSpider
LMGP20070019 LIPID MAPS
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