CHEBI:170921 - TG(18:1(11Z)/16:1(9Z)/20:2n6)

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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(18:1(11Z)/16:1(9Z)/20:2n6)
ChEBI ID CHEBI:170921
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C57H102O6
Net Charge 0
Average Mass 883.437
Monoisotopic Mass 882.76764
InChI InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,27,54H,4-15,17-18,22,26,28-53H2,1-3H3/b19-16-,23-20-,24-21-,27-25-/t54-/m0/s1
InChIKey XDWSGZHSFJBWFG-RLDWNXHBSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/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 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
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:1(11Z)/16:1(9Z)/20:2n6) (CHEBI:170921) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
59658314 ChemSpider
HMDB0049248 HMDB
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