CHEBI:193469 - PA(10:0/a-13:0)

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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 PA(10:0/a-13:0)
ChEBI ID CHEBI:193469
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H51O8P
Net Charge 0
Average Mass 522.660
Monoisotopic Mass 522.33216
InChI InChI=1S/C26H51O8P/c1-4-6-7-8-9-13-16-19-25(27)32-21-24(22-33-35(29,30)31)34-26(28)20-17-14-11-10-12-15-18-23(3)5-2/h23-24H,4-22H2,1-3H3,(H2,29,30,31)/t23?,24-/m1/s1
InChIKey BISHVOIDCQBHOL-XMMISQBUSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC(CC)C)COC(=O)CCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). 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 PA(10:0/a-13:0) (CHEBI:193469) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] 10-methyldodecanoate
Manual Xref Database
74877344 ChemSpider
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