monoctanoin (moctanin) Report issue

Small molecule Orphan Drug FDA Approved FDA Priority Review FDA
ChEMBL Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

901.23

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC.CCCCCCCC(=O)OCC(O)CO.CCCCCCCCCC(=O)OCC(O)CO.OCC(O)CO
  • InChIKey: YTORMSBGFMQNEO-UHFFFAOYSA-N
    InChI=1S/C19H36O5.C13H26O4.C11H22O4.C3H8O3/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14;1-2-3-4-5-6-7-11(14)15-9-10(13)8-12;4-1-3(6)2-5/h17,20H,3-16H2,1-2H3;12,14-15H,2-11H2,1H3;10,12-13H,2-9H2,1H3;3-6H,1-2H2
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3301678   ChEMBL
monoctanoin

CHEMBL3304484   ChEMBL
monoctanoin

VFU0OU98LO   NCATS
monoctanoin *

Monoctanoin   Wikipedia

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