CHEBI:170162 - PA(16:1(9Z)/20:3(8Z,11Z,14Z))

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ChEBI Name PA(16:1(9Z)/20:3(8Z,11Z,14Z))
ChEBI ID CHEBI:170162
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000058638841
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Formula C39H69O8P
Net Charge 0
Average Mass 696.947
Monoisotopic Mass 696.47301
InChI InChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,37H,3-10,12,15,19,21,23-36H2,1-2H3,(H2,42,43,44)/b13-11-,16-14-,18-17-,22-20-/t37-/m1/s1
InChIKey IFKZPKVGHVMJPM-HNYBRTIVSA-N
SMILES P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
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)/20:3(8Z,11Z,14Z)) (CHEBI:170162) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
74877251 ChemSpider
HMDB0115513 HMDB
LMGP10010217 LIPID MAPS
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