CHEBI:196769 - PA(22:0/12:0)

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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(22:0/12:0)
ChEBI ID CHEBI:196769
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H73O8P
Net Charge 0
Average Mass 676.957
Monoisotopic Mass 676.50431
InChI InChI=1S/C37H73O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-23-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1
InChIKey NYQHUMPAHRERGI-PGUFJCEWSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(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(22:0/12:0) (CHEBI:196769) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] docosanoate
Manual Xrefs Databases
74876978 ChemSpider
HMDB0115238 HMDB
LMGP10010849 LIPID MAPS
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