CHEBI:170535 - TG(18:0/14:1(9Z)/18:1(11Z))

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(18:0/14:1(9Z)/18:1(11Z))
ChEBI ID CHEBI:170535
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/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15,18-19,22,50H,4-14,16-17,20-21,23-49H2,1-3H3/b18-15-,22-19-/t50-/m1/s1
InChIKey QILOXOVTFAYRFW-PCXHRGTDSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/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 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 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
ChEBI Ontology
Outgoing TG(18:0/14:1(9Z)/18:1(11Z)) (CHEBI:170535) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate
Manual Xrefs Databases
59654256 ChemSpider
HMDB0044863 HMDB
View more database links