CHEBI:179079 - PA(16:1(9Z)/18:0)

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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(16:1(9Z)/18:0)
ChEBI ID CHEBI:179079
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H71O8P
Net Charge 0
Average Mass 674.941
Monoisotopic Mass 674.48866
InChI InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34H2,1-2H3,(H2,40,41,42)/b16-14-/t35-/m1/s1
InChIKey DIHLRRSJAKKZCG-WMHOIYFHSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(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(16:1(9Z)/18:0) (CHEBI:179079) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] octadecanoate
Manual Xrefs Databases
75336460 ChemSpider
LMGP10010209 LIPID MAPS
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