CHEBI:171555 - TG(16:0/14:0/22:1(13Z))

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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(16:0/14:0/22:1(13Z))
ChEBI ID CHEBI:171555
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H104O6
Net Charge 0
Average Mass 861.431
Monoisotopic Mass 860.78329
InChI InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h24-25,52H,4-23,26-51H2,1-3H3/b25-24-/t52-/m0/s1
InChIKey MNHVDMRMCVJDHK-HUNVKYDPSA-N
SMILES O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
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 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
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(16:0/14:0/22:1(13Z)) (CHEBI:171555) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-hexadecanoyloxy-2-tetradecanoyloxypropyl] (Z)-docos-13-enoate
Manual Xrefs Databases
59653330 ChemSpider
HMDB0043840 HMDB
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