CHEBI:171491 - TG(i-19:0/a-17:0/i-12:0)[rac]

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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(i-19:0/a-17:0/i-12:0)[rac]
ChEBI ID CHEBI:171491
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H98O6
Net Charge 0
Average Mass 807.339
Monoisotopic Mass 806.73634
InChI InChI=1S/C51H98O6/c1-7-47(6)39-33-27-20-16-13-14-18-22-30-36-42-51(54)57-48(44-56-50(53)41-35-29-24-23-26-32-38-46(4)5)43-55-49(52)40-34-28-21-17-12-10-8-9-11-15-19-25-31-37-45(2)3/h45-48H,7-44H2,1-6H3/t47?,48-/m0/s1
InChIKey OFZXNHXSTIGRFU-HOMNMMCZSA-N
SMILES O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC(CC)C
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 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 NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(i-19:0/a-17:0/i-12:0)[rac] (CHEBI:171491) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-(14-methylhexadecanoyloxy)-3-(10-methylundecanoyloxy)propyl] 17-methyloctadecanoate
Manual Xrefs Databases
74874265 ChemSpider
HMDB0110387 HMDB
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