CHEBI:171315 - TG(20:1(11Z)/16:1(9Z)/20:3n6)

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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(20:1(11Z)/16:1(9Z)/20:3n6)
ChEBI ID CHEBI:171315
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/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31,34,56H,4-15,17-18,20,22-23,29-30,32-33,35-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-/t56-/m1/s1
InChIKey NMCPJGNCIRRQQB-VTZWHLTGSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/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 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 NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(20:1(11Z)/16:1(9Z)/20:3n6) (CHEBI:171315) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
59660393 ChemSpider
HMDB0050459 HMDB
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