CHEBI:171453 - TG(18:1(9Z)/14:0/22:2(13Z,16Z))

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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 TG(18:1(9Z)/14:0/22:2(13Z,16Z))
ChEBI ID CHEBI:171453
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C57H104O6
Net Charge 0
Average Mass 885.453
Monoisotopic Mass 884.78329
InChI InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,30,54H,4-15,17-18,20-23,27-29,31-53H2,1-3H3/b19-16-,26-24-,30-25-/t54-/m0/s1
InChIKey QTMSSVDGQFTUGW-AILSCRDTSA-N
SMILES O([C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
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 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
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
ChEBI Ontology
Outgoing TG(18:1(9Z)/14:0/22:2(13Z,16Z)) (CHEBI:171453) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
59658753 ChemSpider
HMDB0049711 HMDB
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