Difference between revisions of "CPD-476"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ANDROST4ENE ANDROST4ENE] == * smiles: ** CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-476 CPD-476] == * smiles: ** C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O * common name: ** 4-(2-...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ANDROST4ENE ANDROST4ENE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-476 CPD-476] ==
 
* smiles:
 
* smiles:
** CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)
+
** C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O
 
* common name:
 
* common name:
** androst-4-ene-3,17-dione
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** 4-(2-aminophenyl)-2,4-dioxobutanoate
 
* inchi key:
 
* inchi key:
** InChIKey=AEMFNILZOJDQLW-QAGGRKNESA-N
+
** InChIKey=CAOVWYZQMPNAFJ-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 286.413    
+
** 206.177    
 
* Synonym(s):
 
* Synonym(s):
** 4-androstene-3,17-dione
 
** androstenedione
 
  
 
== 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 ==
* [[RXN-12124]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2.6.1.7-RXN]]
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMST02020007
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6128 6128]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615302 23615302]
* CAS : 63-05-8
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* HMDB : HMDB00978
* DRUGBANK : DB01536
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* NCI:
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9563 9563]
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* HMDB : HMDB00053
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00280 C00280]
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** [http://www.genome.jp/dbget-bin/www_bget?C01252 C01252]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.19951260.html 19951260]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16422 16422]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58147 58147]
* METABOLIGHTS : MTBLC16422
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* METABOLIGHTS : MTBLC58147
{{#set: smiles=CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)}}
+
{{#set: smiles=C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O}}
{{#set: common name=androst-4-ene-3,17-dione}}
+
{{#set: common name=4-(2-aminophenyl)-2,4-dioxobutanoate}}
{{#set: inchi key=InChIKey=AEMFNILZOJDQLW-QAGGRKNESA-N}}
+
{{#set: inchi key=InChIKey=CAOVWYZQMPNAFJ-UHFFFAOYSA-M}}
{{#set: molecular weight=286.413   }}
+
{{#set: molecular weight=206.177   }}
{{#set: common name=4-androstene-3,17-dione|androstenedione}}
+
{{#set: reversible reaction associated=2.6.1.7-RXN}}
{{#set: produced by=RXN-12124}}
+

Latest revision as of 19:21, 21 March 2018

Metabolite CPD-476

  • smiles:
    • C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O
  • common name:
    • 4-(2-aminophenyl)-2,4-dioxobutanoate
  • inchi key:
    • InChIKey=CAOVWYZQMPNAFJ-UHFFFAOYSA-M
  • molecular weight:
    • 206.177
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O" cannot be used as a page name in this wiki.