Difference between revisions of "ISOVALERYL-COA"

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(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(...")
 
(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...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOVALERYL-COA ISOVALERYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-590 CPD-590] ==
 
* smiles:
 
* 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
+
** C3(C(C2(OC1(C=C(C=C(C=1C(C2O)O)O)O)))=CC(O)=C(C=3)O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J
+
** InChIKey=SBZWTSHAFILOTE-SOUVJXGZSA-N
 
* common name:
 
* common name:
−
** isovaleryl-CoA
+
** (2R,3S,4S)-leucocyanidin
 
* molecular weight:
 
* molecular weight:
−
** 847.62    
+
** 306.271    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-methylbutyryl-CoA
+
** 2,3-trans-3,4-cis-leucocyanidin
−
** 3-methylbutanoyl-CoA
+
−
** isovaleryl-coenzyme A
+
−
** iso-valeryl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN0-2301]]
+
* [[RXN-602]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN]]
+
* [[RXN-600]]
 
== 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=45266576 45266576]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=440833 440833]
−
* HMDB : HMDB01113
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.389677.html 389677]
−
** [http://www.genome.jp/dbget-bin/www_bget?C02939 C02939]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57345 57345]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11412 11412]
−
* METABOLIGHTS : MTBLC57345
+
* METABOLIGHTS : MTBLC11412
−
{{#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}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05906 C05906]
−
{{#set: common name=isovaleryl-CoA}}
+
{{#set: smiles=C3(C(C2(OC1(C=C(C=C(C=1C(C2O)O)O)O)))=CC(O)=C(C=3)O)}}
−
{{#set: molecular weight=847.62   }}
+
{{#set: inchi key=InChIKey=SBZWTSHAFILOTE-SOUVJXGZSA-N}}
−
{{#set: common name=3-methylbutyryl-CoA|3-methylbutanoyl-CoA|isovaleryl-coenzyme A|iso-valeryl-CoA}}
+
{{#set: common name=(2R,3S,4S)-leucocyanidin}}
−
{{#set: consumed by=RXN0-2301}}
+
{{#set: molecular weight=306.271   }}
−
{{#set: produced by=2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN}}
+
{{#set: common name=2,3-trans-3,4-cis-leucocyanidin}}
−
{{#set: consumed or produced by=ISOVALERYLCOA-DHLIPOAMIDE-RXN|RXN-14264}}
+
{{#set: consumed by=RXN-602}}
 +
{{#set: produced by=RXN-600}}

Revision as of 20:24, 17 March 2018

Metabolite CPD-590

  • smiles:
    • C3(C(C2(OC1(C=C(C=C(C=1C(C2O)O)O)O)))=CC(O)=C(C=3)O)
  • inchi key:
    • InChIKey=SBZWTSHAFILOTE-SOUVJXGZSA-N
  • common name:
    • (2R,3S,4S)-leucocyanidin
  • molecular weight:
    • 306.271
  • Synonym(s):
    • 2,3-trans-3,4-cis-leucocyanidin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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