Chemical Compound

(S)-3-hydroxybutanoyl-CoA

CAS Registry Number 22138-45-0
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(S)-3-hydroxybutanoyl-CoA chemical structure
Primary Record

(S)-3-hydroxybutanoyl-CoA

In stock
4,828 g
Purity
99.3 %
CAS
22138-45-0

Compound Identifiers & Properties

CAS
22138-45-0
PubChem CID
9543037
SMILES
C[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O
Canonical 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

Names & Synonyms

  • (S)-3-hydroxybutanoyl-CoA
  • L-3-hydroxybutanoyl-CoA
  • (S)-3-hydroxybutyroyl-CoA
  • L(+)-3-hydroxybutyroyl-CoA
  • L(+)-beta-hydroxybutyroyl-CoA
  • (3S)-3-hydroxybutanoyl-CoA
  • (S)-3-Hydroxybutyryl-CoA
  • (3S)-3-Hydroxyacyl-CoA
  • RefChem:1051163
  • (3S)-3-Hydroxybutyryl-CoA
  • 3-Hydroxybutyryl-coenzyme A
  • 3-hydroxybutanoyl-coenzyme a
  • CHEBI:15453
  • SCHEMBL1673014
  • (S)-3-Hydroxybutyrylcoenzyme A
  • SCHEMBL29608610
  • DTXSID10863042
  • ZINC8551316
  • c0030
  • LMFA07050153
  • CID9543037
  • Coenzyme A, S-[(3S)-3-hydroxybutanoate]
  • NS00070443
  • J1.328.396F
  • C01144
  • Q27089442
  • 22138-45-0
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • 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] (3S)-3-hydroxybutanethioate
  • (2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-N-(2-((2-(((3S)-3-hydroxybutanoyl)sulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)-3,3-dimethylbutanimidic acid
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-4-((3-((2-(((3S)-3-hydroxybutanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • 3HC
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[(S)-3-hydroxybutyryl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
  • 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) (3S)-3-hydroxybutanethioate
  • S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (3S)-3-hydroxybutanethioate