Difference between revisions of "CPD-10546"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOBUTANOL ISOBUTANOL] == * smiles: ** CC(C)CO * common name: ** isobutanol * inchi key: ** InC...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10546 CPD-10546] == * smiles: ** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2)) * common name: ** methyl (...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10546 CPD-10546] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2)) |
* common name: | * common name: | ||
| − | ** | + | ** methyl (indol-3-yl)acetate |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 189.213 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** IAA methyl ester |
| − | ** | + | ** methyl IAA |
| − | ** 2- | + | ** MeIAA |
| − | ** | + | ** indole-3-acetic acid methyl ester |
| + | ** methyl 2-(1H-indol-3-yl)acetate | ||
| + | ** methyl indole-3-acetate | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN-10711]] | ||
== 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= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=74706 74706] |
| + | * KNAPSACK : C00000101 | ||
| + | * HMDB : HMDB29738 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C20635 C20635] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.67279.html 67279] |
| − | + | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72782 72782] |
| − | * | + | * METABOLIGHTS : MTBLC72782 |
| − | + | {{#set: smiles=C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))}} | |
| − | {{#set: smiles= | + | {{#set: common name=methyl (indol-3-yl)acetate}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: molecular weight=189.213 }} |
| − | {{#set: molecular weight= | + | {{#set: common name=IAA methyl ester|methyl IAA|MeIAA|indole-3-acetic acid methyl ester|methyl 2-(1H-indol-3-yl)acetate|methyl indole-3-acetate}} |
| − | {{#set: common name= | + | {{#set: consumed by=RXN-10711}} |
| − | {{#set: | + | |
Latest revision as of 20:41, 21 March 2018
Contents
Metabolite CPD-10546
- smiles:
- C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))
- common name:
- methyl (indol-3-yl)acetate
- inchi key:
- InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N
- molecular weight:
- 189.213
- Synonym(s):
- IAA methyl ester
- methyl IAA
- MeIAA
- indole-3-acetic acid methyl ester
- methyl 2-(1H-indol-3-yl)acetate
- methyl indole-3-acetate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- KNAPSACK : C00000101
- HMDB : HMDB29738
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC72782
