Difference between revisions of "2-METHYL-3-HYDROXY-BUTYRYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-3-HYDROXY-BUTYRYL-COA 2-METHYL-3-HYDROXY-BUTYRYL-COA] == * smiles: ** CC(C(=O)SCCNC(=O...")
 
 
Line 3: Line 3:
 
* 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-])C(C)O
 
** 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-])C(C)O
−
* common name:
 
−
** (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
 
−
* inchi key:
 
−
** InChIKey=PEKYNTFSOBAABV-LQUDNSJZSA-J
 
 
* molecular weight:
 
* molecular weight:
 
** 863.619     
 
** 863.619     
 +
* inchi key:
 +
** InChIKey=PEKYNTFSOBAABV-LQUDNSJZSA-J
 +
* common name:
 +
** (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
 
* Synonym(s):
 
* Synonym(s):
 
** 2-methyl-3-hydroxybutyryl-CoA
 
** 2-methyl-3-hydroxybutyryl-CoA
Line 19: Line 19:
 
* [[ECH_LPAREN_3hmbcoa_RPAREN_]]
 
* [[ECH_LPAREN_3hmbcoa_RPAREN_]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[TIGLYLCOA-HYDROXY-RXN]]
 
−
* [[HMNOS]]
 
 
* [[1.1.1.178-RXN]]
 
* [[1.1.1.178-RXN]]
 +
* [[HMNOS]]
 +
* [[TIGLYLCOA-HYDROXY-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57312 57312]
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657672 90657672]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266551 45266551]
 
* HMDB : HMDB01356
 
* HMDB : HMDB01356
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15449 15449]
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C04405 C04405]
 
** [http://www.genome.jp/dbget-bin/www_bget?C04405 C04405]
 
{{#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-])C(C)O}}
 
{{#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-])C(C)O}}
−
{{#set: common name=(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA}}
 
−
{{#set: inchi key=InChIKey=PEKYNTFSOBAABV-LQUDNSJZSA-J}}
 
 
{{#set: molecular weight=863.619    }}
 
{{#set: molecular weight=863.619    }}
 +
{{#set: inchi key=InChIKey=PEKYNTFSOBAABV-LQUDNSJZSA-J}}
 +
{{#set: common name=(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA}}
 
{{#set: common name=2-methyl-3-hydroxybutyryl-CoA|(2S,3S)-3-hydroxy-2-methylbutyryl-CoA|(S)-3-hydroxy-2-methylbutyryl-CoA|3-hydroxy-2-methylbutyryl-CoA}}
 
{{#set: common name=2-methyl-3-hydroxybutyryl-CoA|(2S,3S)-3-hydroxy-2-methylbutyryl-CoA|(S)-3-hydroxy-2-methylbutyryl-CoA|3-hydroxy-2-methylbutyryl-CoA}}
 
{{#set: produced by=ECH_LPAREN_3hmbcoa_RPAREN_}}
 
{{#set: produced by=ECH_LPAREN_3hmbcoa_RPAREN_}}
−
{{#set: reversible reaction associated=TIGLYLCOA-HYDROXY-RXN|HMNOS|1.1.1.178-RXN}}
+
{{#set: reversible reaction associated=1.1.1.178-RXN|HMNOS|TIGLYLCOA-HYDROXY-RXN}}

Latest revision as of 15:37, 10 January 2019

Metabolite 2-METHYL-3-HYDROXY-BUTYRYL-COA

  • 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-])C(C)O
  • molecular weight:
    • 863.619
  • inchi key:
    • InChIKey=PEKYNTFSOBAABV-LQUDNSJZSA-J
  • common name:
    • (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
  • Synonym(s):
    • 2-methyl-3-hydroxybutyryl-CoA
    • (2S,3S)-3-hydroxy-2-methylbutyryl-CoA
    • (S)-3-hydroxy-2-methylbutyryl-CoA
    • 3-hydroxy-2-methylbutyryl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"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-])C(C)O" cannot be used as a page name in this wiki.




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