Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 22:49:50 UTC
Update Date2024-04-20 06:08:39 UTC
Metabolite IDMMDBc0054065
Metabolite Identification
Common Name(3R)-3-hydroxybutanoyl-CoA
Description3-Hydroxybutyryl-CoA is a substrate for Enoyl-CoA hydratase (mitochondrial), Trifunctional enzyme alpha subunit (mitochondrial) and Peroxisomal bifunctional enzyme.
Structure
Synonyms
ValueSource
(3R)-3-Hydroxybutanoyl-CoAChEBI
(R)-3-Hydroxy-butanoyl-CoAHMDB
(R)-3-Hydroxy-butanoyl-coenzyme AHMDB
(R)-3-Hydroxybutyryl CoAHMDB
3-Hydroxybutyryl-CoAHMDB
3-Hydroxybutyryl-coenzyme AHMDB
D-(-)-beta-Hydroxybutyryl-CoAHMDB
D-(-)-beta-Hydroxybutyryl-coenzyme AHMDB
D-(-)-β-Hydroxybutyryl-CoAHMDB
D-(-)-β-Hydroxybutyryl-coenzyme AHMDB
D-3-Hydroxybutyryl-CoAHMDB
D-3-Hydroxybutyryl-coenzyme AHMDB
D-beta-Hydroxybutyryl-CoAHMDB
D-beta-Hydroxybutyryl-coenzyme AHMDB
D-β-Hydroxybutyryl-CoAHMDB
D-β-Hydroxybutyryl-coenzyme AHMDB
R-(-)-3-Hydroxybutyryl-CoAHMDB
R-(-)-3-Hydroxybutyryl-coenzyme AHMDB
beta-Hydroxybutyryl CoAHMDB
beta-Hydroxybutyryl coenzyme AHMDB
β-Hydroxybutyryl CoAHMDB
β-Hydroxybutyryl coenzyme AHMDB
Molecular FormulaC25H42N7O18P3S
Average Mass853.62
Monoisotopic Mass853.151989708
IUPAC Name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Traditional Name(R)-3-hydroxybutanoyl-coa
CAS Registry NumberNot Available
SMILES
C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
InChI Identifier
InChI=1S/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
InChI KeyQHHKKMYHDBRONY-WZZMXTMRSA-N