CHEBI:178792 - TG(a-21:0/i-13:0/10:0)[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(a-21:0/i-13:0/10:0)[rac]
ChEBI ID CHEBI:178792
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H90O6
Net Charge 0
Average Mass 751.231
Monoisotopic Mass 750.67374
InChI InChI=1S/C47H90O6/c1-6-8-9-10-20-27-32-37-45(48)51-40-44(53-47(50)39-34-29-24-19-21-25-30-35-42(3)4)41-52-46(49)38-33-28-23-18-16-14-12-11-13-15-17-22-26-31-36-43(5)7-2/h42-44H,6-41H2,1-5H3/t43?,44-/m1/s1
InChIKey NCOSCQJOROGNPZ-JXDVSCHGSA-N
SMILES O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC(CC)C)COC(=O)CCCCCCCCC)C(=O)CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing TG(a-21:0/i-13:0/10:0)[rac] (CHEBI:178792) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2R)-3-decanoyloxy-2-(11-methyldodecanoyloxy)propyl] 18-methylicosanoate
Manual Xrefs Databases
59667132 ChemSpider
HMDB0064571 HMDB
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