CHEBI:180751 - PA(18:1(11Z)/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(18:1(11Z)/18:0)
ChEBI ID CHEBI:180751
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H75O8P
Net Charge 0
Average Mass 702.995
Monoisotopic Mass 702.51996
InChI InChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,37H,3-12,14,16-36H2,1-2H3,(H2,42,43,44)/b15-13-/t37-/m1/s1
InChIKey CHJFGLFFOBSASU-IEHWZJNJSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
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(18:1(11Z)/18:0) (CHEBI:180751) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] octadecanoate
Manual Xrefs Databases
74876660 ChemSpider
HMDB0114901 HMDB
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