CHEBI:178923 - TG(10:0/a-21:0/i-13:0)[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(10:0/a-21:0/i-13:0)[rac]
ChEBI ID CHEBI:178923
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(41-52-46(49)38-33-28-24-19-21-25-30-35-42(3)4)53-47(50)39-34-29-23-18-16-14-12-11-13-15-17-22-26-31-36-43(5)7-2/h42-44H,6-41H2,1-5H3/t43?,44-/m0/s1
InChIKey WACIWEVBIWMGOX-GGEHFJKESA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC(CC)C)[C@H](COC(=O)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCC
ChEBI Ontology
Outgoing TG(10:0/a-21:0/i-13:0)[rac] (CHEBI:178923) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-decanoyloxy-3-(11-methyldodecanoyloxy)propan-2-yl] 18-methylicosanoate
Manual Xrefs Databases
59673530 ChemSpider
HMDB0072101 HMDB
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