Difference between revisions of "CPD-714"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-313 CPD-313] == * smiles: ** C(CC[N+])[N+] * inchi key: ** InChIKey=XFNJVJPLKCPIBV-UHFFFAOY...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-714 CPD-714] == * smiles: ** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-313 CPD-313] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-714 CPD-714] ==
 
* smiles:
 
* smiles:
** C(CC[N+])[N+]
+
** CC(C)C(C)CC(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:
 
* inchi key:
** InChIKey=XFNJVJPLKCPIBV-UHFFFAOYSA-P
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** InChIKey=JSVPGVHCEQDJCZ-VGEHDTSWSA-N
 
* common name:
 
* common name:
** propane-1,3-diamine
+
** cathasterone
 
* molecular weight:
 
* molecular weight:
** 76.141    
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** 432.685    
 
* Synonym(s):
 
* Synonym(s):
** trimethylenediamine
 
** 1,3-propanediamine
 
** 1,3-diaminopropane
 
** 1,3-DAP
 
  
 
== 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-13415]]
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* [[RXN-715]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[2.5.1.46-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 109-76-2
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4030255 4030255]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=15341086 15341086]
* HMDB : HMDB00002
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00986 C00986]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.3247103.html 3247103]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57484 57484]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=23057 23057]
* METABOLIGHTS : MTBLC57484
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* LIGAND-CPD:
{{#set: smiles=C(CC[N+])[N+]}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15790 C15790]
{{#set: inchi key=InChIKey=XFNJVJPLKCPIBV-UHFFFAOYSA-P}}
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{{#set: smiles=CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
{{#set: common name=propane-1,3-diamine}}
+
{{#set: inchi key=InChIKey=JSVPGVHCEQDJCZ-VGEHDTSWSA-N}}
{{#set: molecular weight=76.141   }}
+
{{#set: common name=cathasterone}}
{{#set: common name=trimethylenediamine|1,3-propanediamine|1,3-diaminopropane|1,3-DAP}}
+
{{#set: molecular weight=432.685   }}
{{#set: produced by=RXN-13415}}
+
{{#set: produced by=RXN-715}}
{{#set: consumed or produced by=2.5.1.46-RXN}}
+

Revision as of 15:06, 23 May 2018

Metabolite CPD-714

  • smiles:
    • CC(C)C(C)CC(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=JSVPGVHCEQDJCZ-VGEHDTSWSA-N
  • common name:
    • cathasterone
  • molecular weight:
    • 432.685
  • 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)CC(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.