CHEBI:170517 - TG(14:1(9Z)/14:0/22:1(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(14:1(9Z)/14:0/22:1(13Z))
ChEBI ID CHEBI:170517
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H98O6
Net Charge 0
Average Mass 831.361
Monoisotopic Mass 830.73634
InChI InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,17,23-24,50H,4-13,15-16,18-22,25-49H2,1-3H3/b17-14-,24-23-/t50-/m0/s1
InChIKey BJQQSJITCQAGJU-JMTCNEBJSA-N
SMILES O([C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)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 NIH-3T3 cell (BTO:0000944). 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
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(14:1(9Z)/14:0/22:1(13Z)) (CHEBI:170517) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2R)-2-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
Manual Xrefs Databases
59656900 ChemSpider
HMDB0047730 HMDB
View more database links