Difference between revisions of "CPD-335"

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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-335 CPD-335] == * smiles: ** CC(CC([O-])=O)O * common name: ** (R)-3-hydroxybutanoate * inc...")
 
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[[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-335 CPD-335] ==
 
* 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(CC([O-])=O)O
 
* common name:
 
* common name:
−
** (S)-3-hydroxy-isobutanoyl-CoA
+
** (R)-3-hydroxybutanoate
 
* inchi key:
 
* inchi key:
−
** InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
+
** InChIKey=WHBMMWSBFZVSSR-GSVOUGTGSA-M
 
* molecular weight:
 
* molecular weight:
−
** 849.593    
+
** 103.097    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-3-hydroxy-2-methylpropanoyl-CoA
+
** D-3-hydroxybutyrate
−
** (S)-3-hydroxy-isobutyryl-coenzyme A
+
** D-β-hydroxybutyrate
−
** (S)-3-Hydroxy-2-methylpropionyl-CoA
+
** (R)-3-hydroxybutanoic acid
−
** (S)-β-hydroxy-isobutyryl-CoA
+
** (R)-3-hydroxybutyric acid
−
** (S)-3-hydroxy-isobutyryl-CoA
+
** β-hydroxybutyric acid
 +
** b-hydroxybutyric acid
 +
** (R)-3-hydroxybutyrate
  
 
== 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 ==
−
* [[METHYLACYLYLCOA-HYDROXY-RXN]]
+
* [[HBNOm]]
 +
* [[3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 625-72-9
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173510 46173510]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971058 6971058]
−
* CHEBI:
+
* HMDB : HMDB00357
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62611 62611]
+
−
* METABOLIGHTS : MTBLC28259
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06000 C06000]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01089 C01089]
−
{{#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}}
+
* CHEMSPIDER:
−
{{#set: common name=(S)-3-hydroxy-isobutanoyl-CoA}}
+
** [http://www.chemspider.com/Chemical-Structure.5341936.html 5341936]
−
{{#set: inchi key=InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J}}
+
* CHEBI:
−
{{#set: molecular weight=849.593   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=10983 10983]
−
{{#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}}
+
* METABOLIGHTS : MTBLC10983
−
{{#set: consumed by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}
+
{{#set: smiles=CC(CC([O-])=O)O}}
−
{{#set: reversible reaction associated=METHYLACYLYLCOA-HYDROXY-RXN}}
+
{{#set: common name=(R)-3-hydroxybutanoate}}
 +
{{#set: inchi key=InChIKey=WHBMMWSBFZVSSR-GSVOUGTGSA-M}}
 +
{{#set: molecular weight=103.097   }}
 +
{{#set: common name=D-3-hydroxybutyrate|D-β-hydroxybutyrate|(R)-3-hydroxybutanoic acid|(R)-3-hydroxybutyric acid|β-hydroxybutyric acid|b-hydroxybutyric acid|(R)-3-hydroxybutyrate}}
 +
{{#set: reversible reaction associated=HBNOm|3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN}}

Latest revision as of 20:58, 21 March 2018

Metabolite CPD-335

  • smiles:
    • CC(CC([O-])=O)O
  • common name:
    • (R)-3-hydroxybutanoate
  • inchi key:
    • InChIKey=WHBMMWSBFZVSSR-GSVOUGTGSA-M
  • molecular weight:
    • 103.097
  • Synonym(s):
    • D-3-hydroxybutyrate
    • D-β-hydroxybutyrate
    • (R)-3-hydroxybutanoic acid
    • (R)-3-hydroxybutyric acid
    • β-hydroxybutyric acid
    • b-hydroxybutyric acid
    • (R)-3-hydroxybutyrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 625-72-9
  • PUBCHEM:
  • HMDB : HMDB00357
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC10983
"CC(CC([O-])=O)O" cannot be used as a page name in this wiki.



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