CHEBI:171379 - TG(14:1(9Z)/18:0/18:3(6Z,9Z,12Z))

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)/18:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:171379
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H94O6
Net Charge 0
Average Mass 827.329
Monoisotopic Mass 826.70504
InChI InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,31,34,50H,4-14,17,20-23,25,27-30,32-33,35-49H2,1-3H3/b18-15-,19-16-,26-24-,34-31-/t50-/m1/s1
InChIKey JJJFPSASDJDBAA-GAKSGLJASA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
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 (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
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(14:1(9Z)/18:0/18:3(6Z,9Z,12Z)) (CHEBI:171379) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] octadecanoate
Manual Xrefs Databases
75320319 ChemSpider
LMGL03014749 LIPID MAPS
View more database links