Difference between revisions of "CPD-10546"
From metabolic_network
(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)) * inchi key: ** InChIKey=K...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2)) | ** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2)) | ||
| + | * molecular weight: | ||
| + | ** 189.213 | ||
* inchi key: | * inchi key: | ||
** InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N | ** InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** methyl (indol-3-yl)acetate | ** methyl (indol-3-yl)acetate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** IAA methyl ester | ** IAA methyl ester | ||
| Line 22: | Line 22: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* KNAPSACK : C00000101 | * KNAPSACK : C00000101 | ||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C20635 C20635] | ** [http://www.genome.jp/dbget-bin/www_bget?C20635 C20635] | ||
| + | * HMDB : HMDB29738 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.67279.html 67279] | ** [http://www.chemspider.com/Chemical-Structure.67279.html 67279] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72782 72782] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72782 72782] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=74706 74706] | ||
* METABOLIGHTS : MTBLC72782 | * METABOLIGHTS : MTBLC72782 | ||
{{#set: smiles=C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))}} | {{#set: smiles=C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))}} | ||
| + | {{#set: molecular weight=189.213 }} | ||
{{#set: inchi key=InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N}} | ||
{{#set: common name=methyl (indol-3-yl)acetate}} | {{#set: common name=methyl (indol-3-yl)acetate}} | ||
| − | |||
{{#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=IAA methyl ester|methyl IAA|MeIAA|indole-3-acetic acid methyl ester|methyl 2-(1H-indol-3-yl)acetate|methyl indole-3-acetate}} | ||
{{#set: consumed by=RXN-10711}} | {{#set: consumed by=RXN-10711}} | ||
Latest revision as of 16:23, 9 January 2019
Contents
Metabolite CPD-10546
- smiles:
- C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))
- molecular weight:
- 189.213
- inchi key:
- InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N
- common name:
- methyl (indol-3-yl)acetate
- 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
- KNAPSACK : C00000101
- LIGAND-CPD:
- HMDB : HMDB29738
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
- METABOLIGHTS : MTBLC72782
