CHEBI:179076 - PA(15:0/19:1(9Z))

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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(15:0/19:1(9Z))
ChEBI ID CHEBI:179076
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/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h18-19,35H,3-17,20-34H2,1-2H3,(H2,40,41,42)/b19-18-/t35-/m1/s1
InChIKey NWZWIHULRZNYMC-MXRVBTIQSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(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(15:0/19:1(9Z)) (CHEBI:179076) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-nonadec-9-enoate
Manual Xref Database
LMGP10010147 LIPID MAPS
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