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Benzoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1104320Image of MNXM1104320
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC28H40N7O17P3S
charge0
mass871.14142
referencehmdb:HMDB0002252
InChIKeyVEVJTUNLALKRNO-VBDPZXIHSA-N
InChIInChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1
SMILESCC(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(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0002252 Benzoyl-CoA
Benzoyl CoA
Benzoyl coenzyme A
Benzoyl-S-coenzyme A
Benzoyl-coenzyme A
Benzoyl-coenzyme A, 14C-labeled
S-Benzoate coenzyme A
S-Benzoic acid coenzyme A
S-Benzoyl-coenzyme A
benzoyl-coa
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(benzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
envipath:...b0faf7856ca0
envipathM:...b0faf7856ca0 		Benzoyl-CoA
hmdb:HMDB02252 secondary/obsolete/fantasy identifier