Difference between revisions of "CPD-4702"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE] == * smiles: ** CO...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] == * smiles: ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)...")
 
(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=12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] ==
 
* smiles:
 
* smiles:
−
** COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)
+
** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))
−
* inchi key:
+
−
** InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N
+
 
* common name:
 
* common name:
−
** 4,4'-dihydroxy-3,3'-dimethoxystilbene
+
** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
 +
* inchi key:
 +
** InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M
 
* molecular weight:
 
* molecular weight:
−
** 272.3    
+
** 427.646    
 
* Synonym(s):
 
* Synonym(s):
−
** 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene
 
−
** 3,3'-dimethoxystilbene-4,4'-diol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN]]
+
* [[RXN66-318]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== 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=5280698 5280698]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659076 90659076]
−
* HMDB : HMDB32847
+
{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))}}
−
* LIGAND-CPD:
+
{{#set: common name=4α-carboxy-5α-cholesta-8,24-dien-3β-ol}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C04547 C04547]
+
{{#set: inchi key=InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M}}
−
* CHEMSPIDER:
+
{{#set: molecular weight=427.646   }}
−
** [http://www.chemspider.com/Chemical-Structure.4444284.html 4444284]
+
{{#set: consumed by=RXN66-318}}
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17501 17501]
+
−
* METABOLIGHTS : MTBLC17501
+
−
{{#set: smiles=COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)}}
+
−
{{#set: inchi key=InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N}}
+
−
{{#set: common name=4,4'-dihydroxy-3,3'-dimethoxystilbene}}
+
−
{{#set: molecular weight=272.3   }}
+
−
{{#set: common name=1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene|3,3'-dimethoxystilbene-4,4'-diol}}
+
−
{{#set: consumed by=LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN}}
+

Latest revision as of 20:54, 21 March 2018

Metabolite CPD-4702

  • smiles:
    • CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))
  • common name:
    • 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
  • inchi key:
    • InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M
  • molecular weight:
    • 427.646
  • 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)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-4702&oldid=44550"