Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

752204 - Overview - Compound Synopsis

Synonyms
COACOENZYME_A
CoASHCoenzyme A
Molecular Formula
C21H36N7O16P3S
InChI
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
Smiles
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS
Cross References
UniChem635437
canSAR752204
PDBe (Protein Data Bank Europe)COA
ChEMBLCHEMBL1213327
BindingDB50367033
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 767.115208962-1.6653102384Yes


Compounds with the same scaffold


Image of compound ID: 752204
Murko Scaffold Family: 17858 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12