CHEBI:171459 - TG(16:1(9Z)/16:1(9Z)/22:1(13Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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(16:1(9Z)/16:1(9Z)/22:1(13Z))
ChEBI ID CHEBI:171459
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/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20-21,23-26,54H,4-19,22,27-53H2,1-3H3/b23-20-,24-21-,26-25-/t54-/m1/s1
InChIKey HJRVVCOWJQUKTM-ILPUFSCISA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
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 HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(16:1(9Z)/16:1(9Z)/22:1(13Z)) (CHEBI:171459) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate
Manual Xrefs Databases
7823282 ChemSpider
LMGL03010368 LIPID MAPS
View more database links