Difference between revisions of "COBINAMIDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] == * smiles: ** CC(C([O-])=O)CO * inchi key: ** InChIKey=DBXBTMSZEOQQDU-VK...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COBINAMIDE COBINAMIDE] == * smiles: ** CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)[CH]7(C8(C)(C(C)(CC(N)=O)C...")
 
(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-12175 CPD-12175] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COBINAMIDE COBINAMIDE] ==
 
* smiles:
 
* smiles:
** CC(C([O-])=O)CO
+
** CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)[CH]7(C8(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co---]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67)))8))))
 
* inchi key:
 
* inchi key:
** InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M
+
** InChIKey=XQRJFEVDQXEIAX-JFYQDRLCSA-M
 
* common name:
 
* common name:
** (S)-3-hydroxy-isobutanoate
+
** cobinamide
 
* molecular weight:
 
* molecular weight:
** 103.097    
+
** 990.096    
 
* Synonym(s):
 
* Synonym(s):
** (S)-3-hydroxy-2-methylpropanoate
+
** Cbi
** (S)-3-Hydroxyisobutyric acid
+
** cobyrinic acid a,c-diamide
** (S)-3-OH-iso-but
+
** (S)-3-OH-isobutyrate
+
** (S)-3-hydroxy-isobutyrate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN]]
+
* [[BTUR2-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 1867-62-5
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18637352 18637352]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820010 91820010]
* CHEBI:
+
* HMDB : HMDB06902
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62638 62638]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C06001 C06001]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05774 C05774]
* HMDB : HMDB00023
+
* CHEBI:
{{#set: smiles=CC(C([O-])=O)CO}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28956 28956]
{{#set: inchi key=InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M}}
+
* BIGG : 46472
{{#set: common name=(S)-3-hydroxy-isobutanoate}}
+
{{#set: smiles=CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)[CH]7(C8(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co---]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67)))8))))}}
{{#set: molecular weight=103.097   }}
+
{{#set: inchi key=InChIKey=XQRJFEVDQXEIAX-JFYQDRLCSA-M}}
{{#set: common name=(S)-3-hydroxy-2-methylpropanoate|(S)-3-Hydroxyisobutyric acid|(S)-3-OH-iso-but|(S)-3-OH-isobutyrate|(S)-3-hydroxy-isobutyrate}}
+
{{#set: common name=cobinamide}}
{{#set: consumed by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
+
{{#set: molecular weight=990.096   }}
{{#set: produced by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}
+
{{#set: common name=Cbi|cobyrinic acid a,c-diamide}}
 +
{{#set: consumed by=BTUR2-RXN}}

Latest revision as of 19:51, 21 March 2018

Metabolite COBINAMIDE

  • smiles:
    • CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)[CH]7(C8(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co---]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67)))8))))
  • inchi key:
    • InChIKey=XQRJFEVDQXEIAX-JFYQDRLCSA-M
  • common name:
    • cobinamide
  • molecular weight:
    • 990.096
  • Synonym(s):
    • Cbi
    • cobyrinic acid a,c-diamide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 1867-62-5
  • PUBCHEM:
  • HMDB : HMDB06902
  • LIGAND-CPD:
  • CHEBI:
  • BIGG : 46472
"CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)[CH]7(C8(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co---]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67)))8))))" cannot be used as a page name in this wiki.