CHEBI:196707 - PA(15:1(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(15:1(9Z)/18:0)
ChEBI ID CHEBI:196707
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H69O8P
Net Charge 0
Average Mass 660.914
Monoisotopic Mass 660.47301
InChI InChI=1S/C36H69O8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h12,14,34H,3-11,13,15-33H2,1-2H3,(H2,39,40,41)/b14-12-/t34-/m1/s1
InChIKey IPVXVURDWTVEEX-XBEBLRSGSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCC)(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(15:1(9Z)/18:0) (CHEBI:196707) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-pentadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] octadecanoate
Manual Xrefs Databases
113378918 ChemSpider
LMGP10010170 LIPID MAPS
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