CHEBI:170160 - PA(20:1(11Z)/15:0)

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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(20:1(11Z)/15:0)
ChEBI ID CHEBI:170160
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H73O8P
Net Charge 0
Average Mass 688.968
Monoisotopic Mass 688.50431
InChI InChI=1S/C38H73O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(39)44-34-36(35-45-47(41,42)43)46-38(40)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,36H,3-16,19-35H2,1-2H3,(H2,41,42,43)/b18-17-/t36-/m1/s1
InChIKey LZQMNELCKSAETL-UVCQAILXSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(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 HeLa cell (BTO:0000567). 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;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(20:1(11Z)/15:0) (CHEBI:170160) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
74876835 ChemSpider
HMDB0115093 HMDB
LMGP10010530 LIPID MAPS
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