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Name:beta-Hydroxybutyryl-coa
PubChem ID:644065
Pathway:Show KEGG pathways
InChI:InChI=1/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1/f/h27-28,39-40,42,44H,26H2
SMILES:CC(CC(=O)SCCNC(CCNC([C@@H](C(C)(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)O)=O)=O)O

Properties:
Formula:C25H42N7O18P3SAtoms:54
Molecular Weight:853.623Rotatable Bonds:24
H-bond Acceptors:24H-bond Donors:0
logP:-0.2014
Targets:
Synonyms:
2871-66-1
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Hydroxybutanoyl-CoA
3-HYDROXYBUTANOYL-COENZYME A
3-Hydroxybutyryl-coa
3-Hydroxybutyryl-coenzyme A
3HC
9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[[2-[(3-hy
9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[[2-[(3-hydroxy-1-oxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-bet
a-D-ribofuranosyl]-
AC1LD8I5
beta-Hydroxybutyryl-coa
beta-Hydroxybutyryl-coenzyme A
CHEBI:37050
CID644065
Coenzyme A, 3-hydroxybutyryl-
Coenzyme A, S-(3-hydroxybutanoate)
S-3-HYDROXYBUTANOYL-COA
S-3-hydroxybutanoyl-coenzyme A
S-3-hydroxybutyryl-CoA
S-3-hydroxybutyryl-coenzyme A