CHEBI:171289 - TG(18:3(6Z,9Z,12Z)/18:0/20:2n6)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TG(18:3(6Z,9Z,12Z)/18:0/20:2n6)
ChEBI ID CHEBI:171289
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/h16-17,19-20,25-26,28,30,36,39,56H,4-15,18,21-24,27,29,31-35,37-38,40-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,39-36-/t56-/m0/s1
InChIKey PGKXXCVUXFYBGA-IKHXCLKRSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/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 Hepa-RG cell (BTO:0005736). 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 HeLa cell (BTO:0000567). 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(18:3(6Z,9Z,12Z)/18:0/20:2n6) (CHEBI:171289) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2R)-2-octadecanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
59661642 ChemSpider
HMDB0052888 HMDB
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