Difference between revisions of "SCOPOLIN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE] == * smiles: ** C2([N+]=CN...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] ==
 
* smiles:
 
* smiles:
−
** C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)
+
** CCCC(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
 
* inchi key:
 
* inchi key:
−
** InChIKey=PDACUKOKVHBVHJ-XVFCMESISA-M
+
** InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
 
* common name:
 
* common name:
−
** 5-amino-1-(5-phospho-β-D-ribosyl)imidazole
+
** 3-oxohexanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 294.18    
+
** 875.63    
 
* Synonym(s):
 
* Synonym(s):
−
** 5-aminoimidazole ribonucleotide
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** ketohexanoyl-CoA
−
** 5-amino-1-(5-phospho-D-ribosyl)imidazole
+
** β-hexanoyl-CoA
−
** 5-aminoimidazole ribotide
+
** ketohexanoyl-coenzyme-A
−
** AIR
+
** 3-ketohexanoyl-CoA
−
** 1-(5'-phosphoribosyl)-5-aminoimidazole
+
−
** 5'-phosphoribosyl-5-aminoimidazole
+
−
** phosphoribosylaminoimidazole
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN0-742]]
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* [[RXN-12570]]
−
* [[AIRCARBOXY-RXN]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[AIRS-RXN]]
+
* [[RXN-12565]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 25635-88-5
+
* CAS : 19774-86-8
 +
* METABOLIGHTS : MTBLC27648
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44229244 44229244]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53239804 53239804]
−
* HMDB : HMDB01235
+
* HMDB : HMDB03943
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03373 C03373]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05269 C05269]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28843 28843]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62418 62418]
−
* BIGG : air
+
* BIGG : 3ohcoa
−
{{#set: smiles=C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)}}
+
{{#set: smiles=CCCC(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: inchi key=InChIKey=PDACUKOKVHBVHJ-XVFCMESISA-M}}
+
{{#set: inchi key=InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J}}
−
{{#set: common name=5-amino-1-(5-phospho-β-D-ribosyl)imidazole}}
+
{{#set: common name=3-oxohexanoyl-CoA}}
−
{{#set: molecular weight=294.18   }}
+
{{#set: molecular weight=875.63   }}
−
{{#set: common name=5-aminoimidazole ribonucleotide|5-amino-1-(5-phospho-D-ribosyl)imidazole|5-aminoimidazole ribotide|AIR|1-(5'-phosphoribosyl)-5-aminoimidazole|5'-phosphoribosyl-5-aminoimidazole|phosphoribosylaminoimidazole}}
+
{{#set: common name=ketohexanoyl-CoA|β-hexanoyl-CoA|ketohexanoyl-coenzyme-A|3-ketohexanoyl-CoA}}
−
{{#set: consumed by=RXN0-742|AIRCARBOXY-RXN}}
+
{{#set: consumed by=RXN-12570}}
−
{{#set: produced by=AIRS-RXN}}
+
{{#set: produced by=RXN-12565}}

Revision as of 19:25, 18 March 2018

Metabolite K-HEXANOYL-COA

  • smiles:
    • CCCC(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
  • inchi key:
    • InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
  • common name:
    • 3-oxohexanoyl-CoA
  • molecular weight:
    • 875.63
  • Synonym(s):
    • ketohexanoyl-CoA
    • β-hexanoyl-CoA
    • ketohexanoyl-coenzyme-A
    • 3-ketohexanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 19774-86-8
  • METABOLIGHTS : MTBLC27648
  • PUBCHEM:
  • HMDB : HMDB03943
  • LIGAND-CPD:
  • CHEBI:
  • BIGG : 3ohcoa
"CCCC(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.




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