CHEBI:196838 - PA(19:1(9Z)/22:0)

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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(19:1(9Z)/22:0)
ChEBI ID CHEBI:196838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H85O8P
Net Charge 0
Average Mass 773.130
Monoisotopic Mass 772.59821
InChI InChI=1S/C44H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h20,24,42H,3-19,21-23,25-41H2,1-2H3,(H2,47,48,49)/b24-20-/t42-/m1/s1
InChIKey XGBVCVYQXLMFFH-MLIYJITJSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(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(19:1(9Z)/22:0) (CHEBI:196838) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] docosanoate
Manual Xrefs Databases
113379138 ChemSpider
LMGP10010504 LIPID MAPS
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