Difference between revisions of "Ec-25 000140"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-469 CPD-469] == * smiles: ** CC(=O)NC(C([O-])=O)CC[CH]=O * inchi key: ** InChIKey=BCPSFKBPH...")
 
(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(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-469 CPD-469] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] ==
 
* smiles:
 
* smiles:
−
** CC(=O)NC(C([O-])=O)CC[CH]=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-])CO
 
* inchi key:
 
* inchi key:
−
** InChIKey=BCPSFKBPHHBDAI-LURJTMIESA-M
+
** InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
 
* common name:
 
* common name:
−
** N-acetyl-L-glutamate 5-semialdehyde
+
** (S)-3-hydroxy-isobutanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 172.16    
+
** 849.593    
 
* Synonym(s):
 
* Synonym(s):
−
** N-acetylglutamate γ-semialdehyde
+
** (S)-3-hydroxy-2-methylpropanoyl-CoA
−
** N-acetyl-L-glutamate-5-semialdehyde
+
** (S)-3-hydroxy-isobutyryl-coenzyme A
−
** N-acetyl-L-glutamate semialdehyde
+
** (S)-3-Hydroxy-2-methylpropionyl-CoA
−
** N-acetylglutamate semialdehyde
+
** (S)-β-hydroxy-isobutyryl-CoA
−
** 2-acetamido-5-oxopentanoate
+
** (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 ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[N-ACETYLGLUTPREDUCT-RXN]]
+
* [[METHYLACYLYLCOA-HYDROXY-RXN]]
−
* [[ACETYLORNTRANSAM-RXN]]
+
 
== External links  ==
 
== External links  ==
−
* BIGG : 37191
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6857435 6857435]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173510 46173510]
−
* HMDB : HMDB06488
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01250 C01250]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.5256773.html 5256773]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29123 29123]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62611 62611]
−
* METABOLIGHTS : MTBLC29123
+
* METABOLIGHTS : MTBLC28259
−
{{#set: smiles=CC(=O)NC(C([O-])=O)CC[CH]=O}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=BCPSFKBPHHBDAI-LURJTMIESA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06000 C06000]
−
{{#set: common name=N-acetyl-L-glutamate 5-semialdehyde}}
+
{{#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: molecular weight=172.16   }}
+
{{#set: inchi key=InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J}}
−
{{#set: common name=N-acetylglutamate γ-semialdehyde|N-acetyl-L-glutamate-5-semialdehyde|N-acetyl-L-glutamate semialdehyde|N-acetylglutamate semialdehyde|2-acetamido-5-oxopentanoate}}
+
{{#set: common name=(S)-3-hydroxy-isobutanoyl-CoA}}
−
{{#set: consumed or produced by=N-ACETYLGLUTPREDUCT-RXN|ACETYLORNTRANSAM-RXN}}
+
{{#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: reversible reaction associated=METHYLACYLYLCOA-HYDROXY-RXN}}

Revision as of 21:27, 17 March 2018

Metabolite CPD-12173

  • 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
  • inchi key:
    • InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
  • common name:
    • (S)-3-hydroxy-isobutanoyl-CoA
  • molecular weight:
    • 849.593
  • 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 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-])CO" cannot be used as a page name in this wiki.




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