CHEBI:170166 - PA(20:4(5Z,8Z,11Z,14Z)/16:0)

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ChEBI Name PA(20:4(5Z,8Z,11Z,14Z)/16:0)
ChEBI ID CHEBI:170166
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/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,25,27,37H,3-10,12,14-16,19,21,23-24,26,28-36H2,1-2H3,(H2,42,43,44)/b13-11-,18-17-,22-20-,27-25-/t37-/m1/s1
InChIKey AICXPIWGUZBCTF-LAQBAJAOSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC/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(20:4(5Z,8Z,11Z,14Z)/16:0) (CHEBI:170166) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xrefs Databases
74876889 ChemSpider
HMDB0115147 HMDB
LMGP10010858 LIPID MAPS
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