isobutyryl-CoA (unspecified stereochemistry) (Q943828)

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chemical compound
  • isobutyryl-coenzyme A
edit
Language Label Description Also known as
English
isobutyryl-CoA (unspecified stereochemistry)
chemical compound
  • isobutyryl-coenzyme A

Statements

mass
837.157074dalton
1 reference
stated in
PubChem
PubChem CID
808
language of work or name
English
title
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate(English)
retrieved
19 September 2016
chemical formula
C₂₅H₄₂N₇O₁₇P₃S
1 reference
stated in
PubChem
PubChem CID
808
language of work or name
English
title
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate(English)
retrieved
19 September 2016
canonical SMILES
CC(C)C(=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
808
language of work or name
English
title
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate(English)
retrieved
19 September 2016

Identifiers

InChI
InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)
1 reference
stated in
PubChem
PubChem CID
808
language of work or name
English
title
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate(English)
retrieved
19 September 2016
InChIKey
AEWHYWSPVRZHCT-UHFFFAOYSA-N
1 reference
stated in
PubChem
PubChem CID
808
language of work or name
English
title
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate(English)
retrieved
19 September 2016
ChemSpider ID
786
1 reference
stated in
ChemSpider
ChemSpider ID
786
language of work or name
English
title
S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan(English)
retrieved
19 September 2016
PubChem CID
808
2 references
stated in
PubChem
PubChem CID
808
language of work or name
English
title
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate(English)
retrieved
19 September 2016
matched by identifier from
InChIKey
InChIKey
AEWHYWSPVRZHCT-UHFFFAOYSA-N
MassBank accession ID
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