CHEBI:170805 - TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z))

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ChEBI Name TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:170805
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/h16-17,19-20,25-26,28-29,34,37,54H,4-15,18,21-24,27,30-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-/t54-/m1/s1
InChIKey RRQQICLGULVDHJ-TUEOCVOPSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/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 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
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z)) (CHEBI:170805) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] octadecanoate
Manual Xrefs Databases
59661245 ChemSpider
HMDB0052442 HMDB
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