Difference between revisions of "VANILLIN"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-178 CPD-178] == * smiles: ** C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLIN VANILLIN] == * smiles: ** COC1(C(=CC=C([CH]=O)C=1)O) * common name: ** vanillin * inch...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-178 CPD-178] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLIN VANILLIN] ==
 
* smiles:
 
* smiles:
−
** C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)
+
** COC1(C(=CC=C([CH]=O)C=1)O)
 
* common name:
 
* common name:
−
** D-myo-inositol (3,4,5,6)-tetrakisphosphate
+
** vanillin
 
* inchi key:
 
* inchi key:
−
** InChIKey=MRVYFOANPDTYBY-UZAAGFTCSA-F
+
** InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 492.013    
+
** 152.149    
 
* Synonym(s):
 
* Synonym(s):
−
** Ins(3,4,5,6)P4
+
** 4-hydroxy-3-methoxybenzaldehyde
−
** Inositol 3,4,5,6-tetrakisphosphate
+
−
** 1D-myo-inositol 3,4,5,6-tetrakisphosphate
+
−
** I(3,4,5,6)P4
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[2.7.1.134-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-10955]]
+
* [[LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1183 1183]
 +
* CAS : 121-33-5
 +
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=403658 403658]
 +
* HMDB : HMDB12308
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04520 C04520]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00755 C00755]
−
* HMDB : HMDB03848
+
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.13860434.html 13860434]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57539 57539]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18346 18346]
−
* METABOLIGHTS : MTBLC57539
+
* METABOLIGHTS : MTBLC18346
−
* PUBCHEM:
+
{{#set: smiles=COC1(C(=CC=C([CH]=O)C=1)O)}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201333 25201333]
+
{{#set: common name=vanillin}}
−
{{#set: smiles=C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)}}
+
{{#set: inchi key=InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N}}
−
{{#set: common name=D-myo-inositol (3,4,5,6)-tetrakisphosphate}}
+
{{#set: molecular weight=152.149   }}
−
{{#set: inchi key=InChIKey=MRVYFOANPDTYBY-UZAAGFTCSA-F}}
+
{{#set: common name=4-hydroxy-3-methoxybenzaldehyde}}
−
{{#set: molecular weight=492.013   }}
+
{{#set: produced by=LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN}}
−
{{#set: common name=Ins(3,4,5,6)P4|Inositol 3,4,5,6-tetrakisphosphate|1D-myo-inositol 3,4,5,6-tetrakisphosphate|I(3,4,5,6)P4}}
+
−
{{#set: consumed by=2.7.1.134-RXN}}
+
−
{{#set: produced by=RXN-10955}}
+

Latest revision as of 21:14, 21 March 2018

Metabolite VANILLIN

  • smiles:
    • COC1(C(=CC=C([CH]=O)C=1)O)
  • common name:
    • vanillin
  • inchi key:
    • InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N
  • molecular weight:
    • 152.149
  • Synonym(s):
    • 4-hydroxy-3-methoxybenzaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"COC1(C(=CC=C([CH]=O)C=1)O)" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=VANILLIN&oldid=47135"