CHEBI:170845 - TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z))

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ChEBI Name TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z))
ChEBI ID CHEBI:170845
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C57H100O6
Net Charge 0
Average Mass 881.421
Monoisotopic Mass 880.75199
InChI InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-23,27,30,36,39,54H,4-17,24-26,28-29,31-35,37-38,40-53H2,1-3H3/b21-18-,22-19-,23-20-,30-27-,39-36-
InChIKey UMPQTCRVUAVQQI-PULYFOIOSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCC)CC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Metabolite of Species Details
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). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (CHEBI:170845) is a triglyceride (CHEBI:17855)
IUPAC Name
[2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-octadec-11-enoate
Manual Xrefs Databases
30777917 ChemSpider
HMDB0049408 HMDB
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