Difference between revisions of "CPD-650"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLUCONATE GLUCONATE] == * smiles: ** C(O)C(O)C(O)C(O)C(O)C(=O)[O-] * common name: ** D-gluconat...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-650 CPD-650] == * smiles: ** CC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLUCONATE GLUCONATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-650 CPD-650] ==
 
* smiles:
 
* smiles:
** C(O)C(O)C(O)C(O)C(O)C(=O)[O-]
+
** CC(CC(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-])=O)O
 
* common name:
 
* common name:
** D-gluconate
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** (3R)-3-hydroxybutanoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=RGHNJXZEOKUKBD-SQOUGZDYSA-M
+
** InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J
 
* molecular weight:
 
* molecular weight:
** 195.149    
+
** 849.593    
 
* Synonym(s):
 
* Synonym(s):
** D-gluconic acid
+
** 3-OH-butyryl-CoA
** dextronic acid
+
** OH-butyryl-CoA
** maltonic acid
+
** β-hydroxybutyryl-S-CoA
 +
** D-3-hydroxybutyryl-CoA
 +
** hydroxy-butyryl-CoA
 +
** β-hydroxybutyryl-CoA
 +
** 3-hydroxybutyryl-CoA
 +
** (3R)-3-Hydroxybutanoyl-CoA
 +
** 3-hydroxybutanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[GLUCONOLACT-RXN]]
+
* [[RXN-5901]]
* [[RXN-17754]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 526-95-4
 
* BIGG : glcn
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6419706 6419706]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266552 45266552]
* HMDB : HMDB00625
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* UM-BBD-CPD : c0030
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00257 C00257]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4925340.html 4925340]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18391 18391]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57315 57315]
* METABOLIGHTS : MTBLC18391
+
* HMDB : HMDB01166
{{#set: smiles=C(O)C(O)C(O)C(O)C(O)C(=O)[O-]}}
+
* LIGAND-CPD:
{{#set: common name=D-gluconate}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03561 C03561]
{{#set: inchi key=InChIKey=RGHNJXZEOKUKBD-SQOUGZDYSA-M}}
+
{{#set: smiles=CC(CC(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-])=O)O}}
{{#set: molecular weight=195.149   }}
+
{{#set: common name=(3R)-3-hydroxybutanoyl-CoA}}
{{#set: common name=D-gluconic acid|dextronic acid|maltonic acid}}
+
{{#set: inchi key=InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J}}
{{#set: produced by=GLUCONOLACT-RXN|RXN-17754}}
+
{{#set: molecular weight=849.593   }}
 +
{{#set: common name=3-OH-butyryl-CoA|OH-butyryl-CoA|β-hydroxybutyryl-S-CoA|D-3-hydroxybutyryl-CoA|hydroxy-butyryl-CoA|β-hydroxybutyryl-CoA|3-hydroxybutyryl-CoA|(3R)-3-Hydroxybutanoyl-CoA|3-hydroxybutanoyl-CoA}}
 +
{{#set: produced by=RXN-5901}}

Latest revision as of 20:10, 21 March 2018

Metabolite CPD-650

  • smiles:
    • CC(CC(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-])=O)O
  • common name:
    • (3R)-3-hydroxybutanoyl-CoA
  • inchi key:
    • InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J
  • molecular weight:
    • 849.593
  • Synonym(s):
    • 3-OH-butyryl-CoA
    • OH-butyryl-CoA
    • β-hydroxybutyryl-S-CoA
    • D-3-hydroxybutyryl-CoA
    • hydroxy-butyryl-CoA
    • β-hydroxybutyryl-CoA
    • 3-hydroxybutyryl-CoA
    • (3R)-3-Hydroxybutanoyl-CoA
    • 3-hydroxybutanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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