CHEBI:171314 - TG(20:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))

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ChEBI Name TG(20:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:171314
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C59H104O6
Net Charge 0
Average Mass 909.475
Monoisotopic Mass 908.78329
InChI InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,30,36,39,56H,4-16,18-19,22-23,27,29,31-35,37-38,40-55H2,1-3H3/b20-17-,24-21-,28-25-,30-26-,39-36-/t56-/m1/s1
InChIKey OHYFZFLLIZGLGR-WNFSKLBWSA-N
SMILES O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C(=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 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 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(20:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z)) (CHEBI:171314) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
59660409 ChemSpider
HMDB0050476 HMDB
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