CHEBI:170164 - PA(22:4(7Z,10Z,13Z,16Z)/14:0)

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ChEBI Name PA(22:4(7Z,10Z,13Z,16Z)/14:0)
ChEBI ID CHEBI:170164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H69O8P
Net Charge 0
Average Mass 696.947
Monoisotopic Mass 696.47301
InChI InChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,37H,3-10,12,14-15,18,21,23,25-36H2,1-2H3,(H2,42,43,44)/b13-11-,17-16-,20-19-,24-22-/t37-/m1/s1
InChIKey MSEJJRQSBLASME-KSWWOFDNSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
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 NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] 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(22:4(7Z,10Z,13Z,16Z)/14:0) (CHEBI:170164) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xrefs Databases
74877063 ChemSpider
HMDB0115323 HMDB
LMGP10010788 LIPID MAPS
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