Difference between revisions of "VANILLIN"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BR- BR-] == * smiles: ** [Br-] * inchi key: ** InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-M * common na...") |
(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...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLIN VANILLIN] == |
* smiles: | * smiles: | ||
| − | ** [ | + | ** COC1(C(=CC=C([CH]=O)C=1)O) |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** vanillin |
| + | * inchi key: | ||
| + | ** InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 152.149 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 4-hydroxy-3-methoxybenzaldehyde |
| − | + | ||
== 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 == | ||
| − | * [[ | + | * [[LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN]] |
== 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= | + | ** [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: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00755 C00755] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.13860434.html 13860434] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18346 18346] |
| − | * | + | * METABOLIGHTS : MTBLC18346 |
| − | + | {{#set: smiles=COC1(C(=CC=C([CH]=O)C=1)O)}} | |
| − | + | {{#set: common name=vanillin}} | |
| − | {{#set: smiles=[ | + | {{#set: inchi key=InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N}} |
| − | {{#set: | + | {{#set: molecular weight=152.149 }} |
| − | {{#set: | + | {{#set: common name=4-hydroxy-3-methoxybenzaldehyde}} |
| − | {{#set: molecular weight= | + | {{#set: produced by=LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN}} |
| − | {{#set: common name= | + | |
| − | + | ||
| − | {{#set: produced by= | + | |
| − | + | ||
Latest revision as of 20:14, 21 March 2018
Contents
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
- PUBCHEM:
- CAS : 121-33-5
- NCI:
- HMDB : HMDB12308
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC18346
"COC1(C(=CC=C([CH]=O)C=1)O)" cannot be used as a page name in this wiki.
