CHEBI:170806 - TG(18:2(9Z,12Z)/16:0/20:3n6)

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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(18:2(9Z,12Z)/16:0/20:3n6)
ChEBI ID CHEBI:170806
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/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33,54H,4-15,18,21-24,28,31-32,34-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m0/s1
InChIKey FPBJHRGEWAYSDO-NWQIFYSBSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)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;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
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:2(9Z,12Z)/16:0/20:3n6) (CHEBI:170806) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
59661237 ChemSpider
HMDB0052429 HMDB
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