acetoacetyl-CoA (Q2639429)

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chemical compound
  • 3-acetoacetyl-CoA
  • acetoacetyl coenzyme A
  • acetoacetyl-coenzyme a
  • S-acetoacetyl-coenzyme A
  • S-acetoacetyl-CoA
  • 3-Acetoacetyl-CoA
  • S-Acetoacetyl-coenzym A
  • Acetoacetyl-Coenzyme A
  • Acetoacetyl coenzyme A
  • Acetoacetyl-CoA
Language Label Description Also known as
English
acetoacetyl-CoA
chemical compound
  • 3-acetoacetyl-CoA
  • acetoacetyl coenzyme A
  • acetoacetyl-coenzyme a
  • S-acetoacetyl-coenzyme A
  • S-acetoacetyl-CoA
  • 3-Acetoacetyl-CoA
  • S-Acetoacetyl-coenzym A
  • Acetoacetyl-Coenzyme A
  • Acetoacetyl coenzyme A
  • Acetoacetyl-CoA

Statements

mass
851.136 dalton
1 reference
stated in
PubChem
PubChem CID
92153
language of work or name
English
title
acetoacetyl-CoA (English)
retrieved
19 October 2016
chemical formula
C₂₅H₄₀N₇O₁₈P₃S
1 reference
stated in
PubChem
PubChem CID
92153
language of work or name
English
title
acetoacetyl-CoA (English)
retrieved
19 October 2016
canonical SMILES
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
1 reference
stated in
PubChem
PubChem CID
92153
language of work or name
English
title
acetoacetyl-CoA (English)
retrieved
19 October 2016
isomeric SMILES
CC(=O)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=C2N=CN=C3N)O)OP(=O)(O)O)O
1 reference
stated in
PubChem
PubChem CID
92153
language of work or name
English
title
acetoacetyl-CoA (English)
retrieved
19 October 2016

Identifiers

Reaxys registry number
78273
1 reference
stated in
ChEBI
ChEBI ID
15345
language of work or name
English
title
acetoacetyl-CoA (English)
retrieved
19 October 2016
EC number
215-815-9
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.014.378
retrieved
27 December 2018
title
S-acetoacetylcoenzyme A (English)
quotation
CAS no.: 1420-36-6 (English)
ECHA Substance Infocard ID
100.014.378
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.014.378
retrieved
27 December 2018
title
S-acetoacetylcoenzyme A (English)
quotation
CAS no.: 1420-36-6 (English)
UM-BBD compound ID
c0229
0 references
KEGG ID
C00332
0 references
PDB ligand ID
CAA
0 references
PDB structure ID
 
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