Difference between revisions of "PWY4FS-7"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-CHLORO-24-DINITROBENZENE 1-CHLORO-24-DINITROBENZENE] == * smiles: ** C1(C=C(Cl)C(=CC=1[N+]([O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLESTEROL CHOLESTEROL] == * smiles: ** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-CHLORO-24-DINITROBENZENE 1-CHLORO-24-DINITROBENZENE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLESTEROL CHOLESTEROL] ==
 
* smiles:
 
* smiles:
−
** C1(C=C(Cl)C(=CC=1[N+]([O-])=O)[N+]([O-])=O)
+
** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
−
* inchi key:
+
−
** InChIKey=VYZAHLCBVHPDDF-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** 1-chloro-2,4-dinitrobenzene
+
** cholesterol
 +
* inchi key:
 +
** InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N
 
* molecular weight:
 
* molecular weight:
−
** 202.554    
+
** 386.66    
 
* Synonym(s):
 
* Synonym(s):
−
** CDNB
+
** 5-cholestene-3β-ol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12693]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN66-323]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[GST-RXN]]
 
 
== External links  ==
 
== External links  ==
 +
* CAS : 57-88-5
 +
* DRUGBANK : DB04540
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6 6]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5997 5997]
 +
* HMDB : HMDB00067
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00187 C00187]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.13868426.html 13868426]
+
** [http://www.chemspider.com/Chemical-Structure.5775.html 5775]
−
* NCI:
+
−
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=6292 6292]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=34718 34718]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16113 16113]
−
* LIGAND-CPD:
+
* METABOLIGHTS : MTBLC16113
−
** [http://www.genome.jp/dbget-bin/www_bget?C14397 C14397]
+
{{#set: smiles=CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
−
{{#set: smiles=C1(C=C(Cl)C(=CC=1[N+]([O-])=O)[N+]([O-])=O)}}
+
{{#set: common name=cholesterol}}
−
{{#set: inchi key=InChIKey=VYZAHLCBVHPDDF-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N}}
−
{{#set: common name=1-chloro-2,4-dinitrobenzene}}
+
{{#set: molecular weight=386.66   }}
−
{{#set: molecular weight=202.554   }}
+
{{#set: common name=5-cholestene-3β-ol}}
−
{{#set: common name=CDNB}}
+
{{#set: consumed by=RXN-12693}}
−
{{#set: reversible reaction associated=GST-RXN}}
+
{{#set: produced by=RXN66-323}}

Revision as of 15:58, 21 March 2018

Metabolite CHOLESTEROL

  • smiles:
    • CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • cholesterol
  • inchi key:
    • InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N
  • molecular weight:
    • 386.66
  • Synonym(s):
    • 5-cholestene-3β-ol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 57-88-5
  • DRUGBANK : DB04540
  • PUBCHEM:
  • HMDB : HMDB00067
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16113
"CC(C)CCCC(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.




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=PWY4FS-7&oldid=31573"