CHEBI:171386 - TG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z))

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ChEBI Name TG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z))
ChEBI ID CHEBI:171386
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/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,50H,4-14,16,19,21-23,28-49H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t50-/m0/s1
InChIKey SXFYNRJJNSUNAB-UVBJSIKFSA-N
SMILES O([C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCC/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 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 HeLa cell;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
ChEBI Ontology
Outgoing TG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z)) (CHEBI:171386) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual Xrefs Databases
59657227 ChemSpider
HMDB0048072 HMDB
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