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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036133

Trehalose-mono-mycolate

Formula: C90H172O13  |  Mol. Weight: 1462.30 g/mol

IUPAC: [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-[1-hydroxy-16-[2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl]hexadecyl]octacosanoate

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Overview

Molecular Formula C90H172O13
Molecular Weight 1462.30 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCC)O)C(=O)OCC3C(C(C(C(O3)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy