CHEBI:170672 - TG(14:0/16:1(9Z)/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(14:0/16:1(9Z)/20:2n6)
ChEBI ID CHEBI:170672
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H96O6
Net Charge 0
Average Mass 829.345
Monoisotopic Mass 828.72069
InChI InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19-20,23-25,50H,4-15,17-18,21-22,26-49H2,1-3H3/b19-16-,23-20-,25-24-/t50-/m0/s1
InChIKey QCEMLZQSNJUFFH-YLFLZVBXSA-N
SMILES O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/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 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 HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(14:0/16:1(9Z)/20:2n6) (CHEBI:170672) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
59651876 ChemSpider
HMDB0042318 HMDB
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