CHEBI:178917 - TG(8:0/21:0/a-15:0)[rac]

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ChEBI Name TG(8:0/21:0/a-15:0)[rac]
ChEBI ID CHEBI:178917
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/c1-5-8-10-12-13-14-15-16-17-18-19-20-21-22-23-28-32-36-40-47(50)53-44(41-51-45(48)38-34-29-11-9-6-2)42-52-46(49)39-35-31-27-25-24-26-30-33-37-43(4)7-3/h43-44H,5-42H2,1-4H3/t43?,44-/m0/s1
InChIKey PYVDHUVADJGMOP-GGEHFJKESA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC(CC)C)COC(=O)CCCCCCC
ChEBI Ontology
Outgoing TG(8:0/21:0/a-15:0)[rac] (CHEBI:178917) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-(12-methyltetradecanoyloxy)-3-octanoyloxypropan-2-yl] henicosanoate
Manual Xrefs Databases
59674215 ChemSpider
HMDB0072736 HMDB
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