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Name:4-Hydroxybenzoyl-coenzyme A
PubChem ID:168718
Pathway:-
InChI:InChI=1/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1/f/h30-31,42-43,45,47H,29H2
SMILES:CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1[C@@H]([C@H]([C@@H](n2cnc3c(N)ncnc23)O1)O)OP(O)(O)=O)[C@H](C(NCCC(NCCSC(c1ccc(cc1)O)=O)=O)=O)O

Properties:
Formula:C28H40N7O18P3SAtoms:62
Molecular Weight:887.64Rotatable Bonds:23
H-bond Acceptors:24H-bond Donors:0
logP:1.0471
Targets:
Synonyms:
27718-41-8
3'-phosphoadenosine
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
4-hydroxybenzoyl CoA
4-HYDROXYBENZOYL COENZYME A
4-Hydroxybenzoyl-coa
4-Hydroxybenzoyl-coenzyme A
AC1L52EV
AR-1L3760
BCA
c0124
CHEBI:15500
CHEMBL1231244
CID168718
Coenzyme A, 4-hydroxybenzoyl-
Coenzyme A, S-(4-hydroxybenzoate)
DB01652
p-hydroxybenzoyl-CoA
p-hydroxybenzoyl-coenzyme A
S-(4-hydroxybenzoyl)-CoA
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-hydroxybenzenecarbothioate