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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025090

(E)-2-Methylcrotonoyl-CoA

Formula: C26H38N7O17P3S-4  |  Mol. Weight: 845.60 g/mol

IUPAC: (2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-N-[3-[2-[(E)-2-methylbut-2-enoyl]sulfanylethylimino]-3-oxidopropyl]butanimidate

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Overview

Molecular Formula C26H38N7O17P3S-4
Molecular Weight 845.60 g/mol
Canonical SMILES CC=C(C)C(=O)SCCN=C(CCN=C(C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)[O-])[O-]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy