Difference between revisions of "RXN-17798"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15368 CPD-15368] == * smiles: ** CCCCCCC(O)CC=CCCCCCCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)C...")
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15368 CPD-15368] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC(O)CC=CCCCCCCCC(=O)CC(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-])=O
+
** COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)
 
* inchi key:
 
* inchi key:
−
** InChIKey=NQXRRZBOZBKGIU-MHAUFEDZSA-J
+
** InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N
 
* common name:
 
* common name:
−
** 3-oxo-lesqueroloyl-CoA
+
** 4,4'-dihydroxy-3,3'-dimethoxystilbene
 
* molecular weight:
 
* molecular weight:
−
** 1085.989    
+
** 272.3    
 
* 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 ==
−
* [[RXN-14493]]
+
* [[LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN]]
 
== 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=90657339 90657339]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280698 5280698]
−
{{#set: smiles=CCCCCCC(O)CC=CCCCCCCCC(=O)CC(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-])=O}}
+
* HMDB : HMDB32847
−
{{#set: inchi key=InChIKey=NQXRRZBOZBKGIU-MHAUFEDZSA-J}}
+
* LIGAND-CPD:
−
{{#set: common name=3-oxo-lesqueroloyl-CoA}}
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** [http://www.genome.jp/dbget-bin/www_bget?C04547 C04547]
−
{{#set: molecular weight=1085.989   }}
+
* CHEMSPIDER:
−
{{#set: consumed by=RXN-14493}}
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** [http://www.chemspider.com/Chemical-Structure.4444284.html 4444284]
 +
* 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}}

Revision as of 19:35, 18 March 2018

Metabolite 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE

  • smiles:
    • COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)
  • inchi key:
    • InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N
  • common name:
    • 4,4'-dihydroxy-3,3'-dimethoxystilbene
  • molecular weight:
    • 272.3
  • 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 produce the compound

Reaction(s) of unknown directionality

External links




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