Difference between revisions of "CPD-13793"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] == * smiles: ** CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13793 CPD-13793] == * smiles: ** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13793 CPD-13793] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCC(=O)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-]
+
** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
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** InChIKey=KYOFIJXMVNQYFC-XJZKHKOHSA-N
 
* common name:
 
* common name:
−
** octanoyl-CoA
+
** 3-oxo-24-ethyl-cholest-5-ene
 
* molecular weight:
 
* molecular weight:
−
** 889.7    
+
** 412.698    
 
* Synonym(s):
 
* Synonym(s):
−
** Octanoyl-CoA (n-C8:0CoA)
 
−
** capryloyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12669]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13617]]
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* [[RXN-12789]]
−
* [[R223-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* BIGG : 38747
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9801811 9801811]
−
* HMDB : HMDB01070
+
{{#set: smiles=CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
−
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=KYOFIJXMVNQYFC-XJZKHKOHSA-N}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944]
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{{#set: common name=3-oxo-24-ethyl-cholest-5-ene}}
−
* CHEBI:
+
{{#set: molecular weight=412.698   }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386]
+
{{#set: produced by=RXN-12789}}
−
* METABOLIGHTS : MTBLC57386
+
−
{{#set: smiles=CCCCCCCC(=O)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-]}}
+
−
{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}}
+
−
{{#set: common name=octanoyl-CoA}}
+
−
{{#set: molecular weight=889.7   }}
+
−
{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}}
+
−
{{#set: consumed by=RXN-12669}}
+
−
{{#set: produced by=RXN-13617|R223-RXN}}
+

Latest revision as of 19:59, 21 March 2018

Metabolite CPD-13793

  • smiles:
    • CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=KYOFIJXMVNQYFC-XJZKHKOHSA-N
  • common name:
    • 3-oxo-24-ethyl-cholest-5-ene
  • molecular weight:
    • 412.698
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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