Difference between revisions of "CPD-17422"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HISTAMINE HISTAMINE] == * smiles: ** C1(=C(NC=N1)CC[N+]) * inchi key: ** InChIKey=NTYJJOPFIAHUR...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17422 CPD-17422] == * smiles: ** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HISTAMINE HISTAMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17422 CPD-17422] ==
 
* smiles:
 
* smiles:
** C1(=C(NC=N1)CC[N+])
+
** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
* inchi key:
+
** InChIKey=NTYJJOPFIAHURM-UHFFFAOYSA-O
+
 
* common name:
 
* common name:
** histamine
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** 3-dehydro-6-hydroxyteasterone
 +
* inchi key:
 +
** InChIKey=VIPVRXUSPSUXNI-XDMMOTQBSA-N
 
* molecular weight:
 
* molecular weight:
** 112.154    
+
** 448.685    
 
* Synonym(s):
 
* Synonym(s):
** peremin
 
** 1H-Imidazole-4-ethanamine
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-9600]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11535]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 51-45-6
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201573 25201573]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515138 102515138]
* HMDB : HMDB00870
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{{#set: smiles=CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
* LIGAND-CPD:
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{{#set: common name=3-dehydro-6-hydroxyteasterone}}
** [http://www.genome.jp/dbget-bin/www_bget?C00388 C00388]
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{{#set: inchi key=InChIKey=VIPVRXUSPSUXNI-XDMMOTQBSA-N}}
* CHEBI:
+
{{#set: molecular weight=448.685   }}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58432 58432]
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{{#set: produced by=RXN-11535}}
* METABOLIGHTS : MTBLC58432
+
{{#set: smiles=C1(=C(NC=N1)CC[N+])}}
+
{{#set: inchi key=InChIKey=NTYJJOPFIAHURM-UHFFFAOYSA-O}}
+
{{#set: common name=histamine}}
+
{{#set: molecular weight=112.154   }}
+
{{#set: common name=peremin|1H-Imidazole-4-ethanamine}}
+
{{#set: consumed by=RXN-9600}}
+

Latest revision as of 19:57, 21 March 2018

Metabolite CPD-17422

  • smiles:
    • CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • 3-dehydro-6-hydroxyteasterone
  • inchi key:
    • InChIKey=VIPVRXUSPSUXNI-XDMMOTQBSA-N
  • molecular weight:
    • 448.685
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.