Difference between revisions of "ISOVALERYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-590 CPD-590] == * smiles: ** C3(C(C2(OC1(C=C(C=C(C=1C(C2O)O)O)O)))=CC(O)=C(C=3)O) * inchi k...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOVALERYL-COA ISOVALERYL-COA] == * smiles: ** CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-590 CPD-590] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOVALERYL-COA ISOVALERYL-COA] ==
 
* smiles:
 
* smiles:
** C3(C(C2(OC1(C=C(C=C(C=1C(C2O)O)O)O)))=CC(O)=C(C=3)O)
+
** CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])C
 
* inchi key:
 
* inchi key:
** InChIKey=SBZWTSHAFILOTE-SOUVJXGZSA-N
+
** InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J
 
* common name:
 
* common name:
** (2R,3S,4S)-leucocyanidin
+
** isovaleryl-CoA
 
* molecular weight:
 
* molecular weight:
** 306.271    
+
** 847.62    
 
* Synonym(s):
 
* Synonym(s):
** 2,3-trans-3,4-cis-leucocyanidin
+
** 3-methylbutyryl-CoA
 +
** 3-methylbutanoyl-CoA
 +
** isovaleryl-coenzyme A
 +
** iso-valeryl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-602]]
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* [[RXN0-2301]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-600]]
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* [[2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ISOVALERYLCOA-DHLIPOAMIDE-RXN]]
 +
* [[RXN-14264]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 6244-91-3
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=440833 440833]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266576 45266576]
* CHEMSPIDER:
+
* HMDB : HMDB01113
** [http://www.chemspider.com/Chemical-Structure.389677.html 389677]
+
* CHEBI:
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11412 11412]
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* METABOLIGHTS : MTBLC11412
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05906 C05906]
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** [http://www.genome.jp/dbget-bin/www_bget?C02939 C02939]
{{#set: smiles=C3(C(C2(OC1(C=C(C=C(C=1C(C2O)O)O)O)))=CC(O)=C(C=3)O)}}
+
* CHEBI:
{{#set: inchi key=InChIKey=SBZWTSHAFILOTE-SOUVJXGZSA-N}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57345 57345]
{{#set: common name=(2R,3S,4S)-leucocyanidin}}
+
* METABOLIGHTS : MTBLC57345
{{#set: molecular weight=306.271   }}
+
{{#set: smiles=CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])C}}
{{#set: common name=2,3-trans-3,4-cis-leucocyanidin}}
+
{{#set: inchi key=InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J}}
{{#set: consumed by=RXN-602}}
+
{{#set: common name=isovaleryl-CoA}}
{{#set: produced by=RXN-600}}
+
{{#set: molecular weight=847.62   }}
 +
{{#set: common name=3-methylbutyryl-CoA|3-methylbutanoyl-CoA|isovaleryl-coenzyme A|iso-valeryl-CoA}}
 +
{{#set: consumed by=RXN0-2301}}
 +
{{#set: produced by=2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN}}
 +
{{#set: reversible reaction associated=ISOVALERYLCOA-DHLIPOAMIDE-RXN|RXN-14264}}

Latest revision as of 19:00, 21 March 2018

Metabolite ISOVALERYL-COA

  • smiles:
    • CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])C
  • inchi key:
    • InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J
  • common name:
    • isovaleryl-CoA
  • molecular weight:
    • 847.62
  • Synonym(s):
    • 3-methylbutyryl-CoA
    • 3-methylbutanoyl-CoA
    • isovaleryl-coenzyme A
    • iso-valeryl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 6244-91-3
  • PUBCHEM:
  • HMDB : HMDB01113
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57345
"CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])C" cannot be used as a page name in this wiki.