CHEBI:171468 - TG(14:1(9Z)/22:1(13Z)/18:1(9Z))

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(14:1(9Z)/22:1(13Z)/18:1(9Z))
ChEBI ID CHEBI:171468
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/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h15,18,24-26,30,54H,4-14,16-17,19-23,27-29,31-53H2,1-3H3/b18-15-,26-24-,30-25-/t54-/m0/s1
InChIKey ZITWCTCGAATZHT-JEQUJCETSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
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 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 NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(14:1(9Z)/22:1(13Z)/18:1(9Z)) (CHEBI:171468) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-docos-13-enoate
Manual Xrefs Databases
59657183 ChemSpider
HMDB0048026 HMDB
View more database links