CHEBI:196739 - PA(20:0/13:0)

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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(20:0/13:0)
ChEBI ID CHEBI:196739
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H71O8P
Net Charge 0
Average Mass 662.930
Monoisotopic Mass 662.48866
InChI InChI=1S/C36H71O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-22-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H2,39,40,41)/t34-/m1/s1
InChIKey XRKXSZBCVMHRCU-UUWRZZSWSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
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(20:0/13:0) (CHEBI:196739) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] icosanoate
Manual Xrefs Databases
74876804 ChemSpider
HMDB0115060 HMDB
LMGP10010865 LIPID MAPS
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