Difference between revisions of "Tiso gene 15500"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12905 CPD-12905] == * smiles: ** CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-28 CPD66-28] == * smiles: ** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12905 CPD-12905] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-28 CPD66-28] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CC(O)CC(=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-]
+
** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
−
* inchi key:
+
−
** InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J
+
 
* common name:
 
* common name:
−
** 3-hydroxy-5-methylhex-4-enoyl-CoA
+
** pregn-5-ene-3,20-dione
 +
* inchi key:
 +
** InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N
 
* molecular weight:
 
* molecular weight:
−
** 889.657    
+
** 314.467    
 
* Synonym(s):
 
* Synonym(s):
  
 
== 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-11919]]
+
* [[RXN66-353]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986102 50986102]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=150901 150901]
−
* LIGAND-CPD:
+
* CHEMSPIDER:
−
** [http://www.genome.jp/dbget-bin/www_bget?C16469 C16469]
+
** [http://www.chemspider.com/Chemical-Structure.546029.html 546029]
−
* HMDB : HMDB60373
+
* CHEBI:
−
{{#set: smiles=CC(C)=CC(O)CC(=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-]}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=63837 63837]
−
{{#set: inchi key=InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J}}
+
{{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
−
{{#set: common name=3-hydroxy-5-methylhex-4-enoyl-CoA}}
+
{{#set: common name=pregn-5-ene-3,20-dione}}
−
{{#set: molecular weight=889.657   }}
+
{{#set: inchi key=InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N}}
−
{{#set: produced by=RXN-11919}}
+
{{#set: molecular weight=314.467   }}
 +
{{#set: produced by=RXN66-353}}

Revision as of 15:34, 21 March 2018

Metabolite CPD66-28

  • smiles:
    • CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • pregn-5-ene-3,20-dione
  • inchi key:
    • InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N
  • molecular weight:
    • 314.467
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)[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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