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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036131

trans-Delta2, cis-Delta4-decadienoyl-CoA

Formula: C31H46N7O17P3S-4  |  Mol. Weight: 913.70 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-N-[3-[2-[(2E,4Z)-deca-2,4-dienoyl]sulfanylethylimino]-3-oxidopropyl]-2-hydroxy-3,3-dimethylbutanimidate

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Overview

Molecular Formula C31H46N7O17P3S-4
Molecular Weight 913.70 g/mol
Canonical SMILES CCCCCC=CC=CC(=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