CHEBI:187835 - PON-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 PON-PA
ChEBI ID CHEBI:187835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H53O9P
Net Charge 0
Average Mass 564.697
Monoisotopic Mass 564.34272
InChI InChI=1S/C28H53O9P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-27(30)35-24-26(25-36-38(32,33)34)37-28(31)22-19-16-13-14-17-20-23-29/h23,26H,2-22,24-25H2,1H3,(H2,32,33,34)/t26-/m1/s1
InChIKey DQLZFJTVJNXVFN-AREMUKBSSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCC=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 PON-PA (CHEBI:187835) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-(9-oxononanoyloxy)-3-phosphonooxypropyl] hexadecanoate
Manual Xrefs Databases
113381000 ChemSpider
LMGP20070013 LIPID MAPS
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