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Name:4-HYDROXYBENZYL COENZYME A
PubChem ID:446969
Pathway:-
InChI:InChI=1/C28H42N7O17P3S/c1-28(2,23(39)26(40)31-8-7-19(37)30-9-10-56-12-16-3-5-17(36)6-4-16)13-49-55(46,47)52-54(44,45)48-11-18-22(51-53(41,42)43)21(38)27(50-18)35-15-34-20-24(29)32-14-33-25(20)35/h3-6,14-15,18,21-23,27,36,38-39H,7-13H2,1-2H3,(H,30,37)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t18-,21-,22-,23+,27-/m1/s1/f/h30-31,41-42,44,46H,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(NCCSCc1ccc(cc1)O)=O)=O)O

Properties:
Formula:C28H42N7O17P3SAtoms:61
Molecular Weight:873.656Rotatable Bonds:23
H-bond Acceptors:23H-bond Donors:0
logP:1.4069
Targets:
Synonyms:
4-HYDROXYBENZYL COENZYME A
4CA
AC1L9KB4
CHEBI:40066
CHEMBL1230257
CID446969
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]