Difference between revisions of "Tiso gene 13203"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17422 CPD-17422] == * smiles: ** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17422 CPD-17422] ==
 
* smiles:
 
* smiles:
−
** CC(C(=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-])CO
+
** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
+
** InChIKey=VIPVRXUSPSUXNI-XDMMOTQBSA-N
 
* common name:
 
* common name:
−
** (S)-3-hydroxy-isobutanoyl-CoA
+
** 3-dehydro-6-hydroxyteasterone
 
* molecular weight:
 
* molecular weight:
−
** 849.593    
+
** 448.685    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-3-hydroxy-2-methylpropanoyl-CoA
 
−
** (S)-3-hydroxy-isobutyryl-coenzyme A
 
−
** (S)-3-Hydroxy-2-methylpropionyl-CoA
 
−
** (S)-β-hydroxy-isobutyryl-CoA
 
−
** (S)-3-hydroxy-isobutyryl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11535]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173510 46173510]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515138 102515138]
−
* CHEBI:
+
{{#set: smiles=CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62611 62611]
+
{{#set: inchi key=InChIKey=VIPVRXUSPSUXNI-XDMMOTQBSA-N}}
−
* METABOLIGHTS : MTBLC28259
+
{{#set: common name=3-dehydro-6-hydroxyteasterone}}
−
* LIGAND-CPD:
+
{{#set: molecular weight=448.685   }}
−
** [http://www.genome.jp/dbget-bin/www_bget?C06000 C06000]
+
{{#set: produced by=RXN-11535}}
−
{{#set: smiles=CC(C(=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-])CO}}
+
−
{{#set: inchi key=InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J}}
+
−
{{#set: common name=(S)-3-hydroxy-isobutanoyl-CoA}}
+
−
{{#set: molecular weight=849.593   }}
+
−
{{#set: common name=(S)-3-hydroxy-2-methylpropanoyl-CoA|(S)-3-hydroxy-isobutyryl-coenzyme A|(S)-3-Hydroxy-2-methylpropionyl-CoA|(S)-β-hydroxy-isobutyryl-CoA|(S)-3-hydroxy-isobutyryl-CoA}}
+
−
{{#set: consumed by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}
+
−
{{#set: consumed or produced by=METHYLACYLYLCOA-HYDROXY-RXN}}
+

Revision as of 17:53, 10 January 2018

Metabolite CPD-17422

  • smiles:
    • CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=VIPVRXUSPSUXNI-XDMMOTQBSA-N
  • common name:
    • 3-dehydro-6-hydroxyteasterone
  • molecular weight:
    • 448.685
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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