Mrv0541 04031414032D          

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M  END
> <ID>
CHEBI:77388

> <NAME>
tricaprin

> <DEFINITION>
A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by capric (decanoic) acid.

> <STAR>
3

> <SYNONYM>
tridecanoylglycerol; Tridecanoin; Tricapric glyceride; tri-n-Caprin; TG(10:0/10:0/10:0); TG 10:0/10:0/10:0; Glyceryl tridecanoate; Glyceryl tricaprate; Glycerol tridecanoate; Glycerol tricaprate; Glycerin tridecanoate; Decanoic acid, 1,2,3-propanetriyl ester; Caprin; Capric triglyceride; Capric acid triglyceride; 1,2,3-tridecanoylglycerol; 1,2,3-Propanol tridecanoate

> <IUPAC_NAME>
propane-1,2,3-triyl tridecanoate

> <FORMULA>
C33H62O6

> <MASS>
554.84180

> <MONOISOTOPIC_MASS>
554.45464

> <CHARGE>
0

> <SMILES>
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

> <INCHI>
InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3

> <INCHIKEY>
LADGBHLMCUINGV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1717683

> <CAS_REGISTRY_NUMBER>
621-71-6

> <REAXYS_REGISTRY_NUMBER>
1717683

> <CHEMIDPLUS>
621-71-6

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGL03012617

> <NIST_CHEMISTRY_WEBBOOK>
621-71-6

> <PUBMED_CITATION>
10917917; 12099290; 21858376

$$$$