Difference between revisions of "3-HYDROXY-ISOVALERYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPYL-COA 3-KETO-ADIPYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-ISOVALERYL-COA 3-HYDROXY-ISOVALERYL-COA] == * smiles: ** CC(COP(=O)([O-])OP(=O)([O-])...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPYL-COA 3-KETO-ADIPYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-ISOVALERYL-COA 3-HYDROXY-ISOVALERYL-COA] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** CC(COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])([O-])=O))(C)C(C(NCCC(NCCSC(=O)CC(C)(C)O)=O)=O)O
 
* common name:
 
* common name:
−
** 3-oxoadipyl-CoA
+
** 3-hydroxyisovaleryl-CoA
 
* inchi key:
 
* inchi key:
−
** InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I
+
** InChIKey=PEVZKILCBDEOBT-UHFFFAOYSA-J
 
* molecular weight:
 
* molecular weight:
−
** 904.605    
+
** 863.619    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-ketoadipyl-CoA
+
** 3-hydroxy-isovaleryl-coa
−
** 3-keto-adipyl-coa
+
** 3-hydroxy-iso-valeryl-CoA
−
** β-ketoadipyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN0-2044]]
+
* [[RXN-14266]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266578 45266578]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203667 25203667]
−
* HMDB : HMDB60378
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57348 57348]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62555 62555]
−
* LIGAND-CPD:
+
{{#set: smiles=CC(COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])([O-])=O))(C)C(C(NCCC(NCCSC(=O)CC(C)(C)O)=O)=O)O}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C02232 C02232]
+
{{#set: common name=3-hydroxyisovaleryl-CoA}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
{{#set: inchi key=InChIKey=PEVZKILCBDEOBT-UHFFFAOYSA-J}}
−
{{#set: common name=3-oxoadipyl-CoA}}
+
{{#set: molecular weight=863.619   }}
−
{{#set: inchi key=InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-I}}
+
{{#set: common name=3-hydroxy-isovaleryl-coa|3-hydroxy-iso-valeryl-CoA}}
−
{{#set: molecular weight=904.605   }}
+
{{#set: reversible reaction associated=RXN-14266}}
−
{{#set: common name=3-ketoadipyl-CoA|3-keto-adipyl-coa|β-ketoadipyl-CoA}}
+
−
{{#set: reversible reaction associated=RXN0-2044}}
+

Latest revision as of 20:24, 21 March 2018

Metabolite 3-HYDROXY-ISOVALERYL-COA

  • smiles:
    • CC(COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])([O-])=O))(C)C(C(NCCC(NCCSC(=O)CC(C)(C)O)=O)=O)O
  • common name:
    • 3-hydroxyisovaleryl-CoA
  • inchi key:
    • InChIKey=PEVZKILCBDEOBT-UHFFFAOYSA-J
  • molecular weight:
    • 863.619
  • Synonym(s):
    • 3-hydroxy-isovaleryl-coa
    • 3-hydroxy-iso-valeryl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])([O-])=O))(C)C(C(NCCC(NCCSC(=O)CC(C)(C)O)=O)=O)O" cannot be used as a page name in this wiki.



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