CHEBI:178802 - TG(a-21:0/8:0/a-15:0)[rac]

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ChEBI Name TG(a-21:0/8:0/a-15:0)[rac]
ChEBI ID CHEBI:178802
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/c1-6-9-10-25-34-39-47(50)53-44(41-52-46(49)38-33-29-24-20-19-22-27-31-36-43(5)8-3)40-51-45(48)37-32-28-23-18-16-14-12-11-13-15-17-21-26-30-35-42(4)7-2/h42-44H,6-41H2,1-5H3/t42?,43?,44-/m0/s1
InChIKey SGRPJAVYIVQIJX-DOGOYTCJSA-N
SMILES O(C(=O)CCCCCCCCCCC(CC)C)C[C@@H](OC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(CC)C
ChEBI Ontology
Outgoing TG(a-21:0/8:0/a-15:0)[rac] (CHEBI:178802) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-(12-methyltetradecanoyloxy)-2-octanoyloxypropyl] 18-methylicosanoate
Manual Xrefs Databases
59667367 ChemSpider
HMDB0064809 HMDB
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