CHEBI:171541 - TG(20:0/18:0/14:1(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(20:0/18:0/14:1(9Z))
ChEBI ID CHEBI:171541
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H104O6
Net Charge 0
Average Mass 861.431
Monoisotopic Mass 860.78329
InChI InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-/t52-/m1/s1
InChIKey OJGNIFPCUMXXFV-AYIAWJIRSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)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 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(20:0/18:0/14:1(9Z)) (CHEBI:171541) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate
Manual Xrefs Databases
59654911 ChemSpider
HMDB0045558 HMDB
LMGL03014754 LIPID MAPS
View more database links