CHEBI:171396 - TG(16:0/18:3(6Z,9Z,12Z)/16:1(9Z))

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ChEBI Name TG(16:0/18:3(6Z,9Z,12Z)/16:1(9Z))
ChEBI ID CHEBI:171396
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/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,32,35,50H,4-15,17-18,21-22,24,27-31,33-34,36-49H2,1-3H3/b19-16-,23-20-,26-25-,35-32-/t50-/m1/s1
InChIKey ALHQZEHCWLIQKP-DYLOEZLYSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/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 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 (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(16:0/18:3(6Z,9Z,12Z)/16:1(9Z)) (CHEBI:171396) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
59653716 ChemSpider
HMDB0044283 HMDB
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