Difference between revisions of "INDOLEYL-CPD"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S2O3 S2O3] == * smiles: ** O=S(=O)([O-])S * common name: ** thiosulfate * inchi key: ** InChIKe...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLEYL-CPD INDOLEYL-CPD] == * smiles: ** C2(NC1(C=CC=CC=1C(CC#N)=2)) * common name: ** indole...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLEYL-CPD INDOLEYL-CPD] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C2(NC1(C=CC=CC=1C(CC#N)=2)) |
* common name: | * common name: | ||
| − | ** | + | ** indole-3-acetonitrile |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 156.187 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** IAN |
| − | ** | + | ** indole-3-ylacetonitrile |
| − | ** | + | ** 3-indoleacetonitrile |
| + | ** (indole-3-yl)acetonitrile | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[ | + | * [[RXN-7567]] |
| + | * [[RXN-1404]] | ||
== 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=351795 351795] |
| − | * HMDB : | + | * KNAPSACK : C00000107 |
| + | * HMDB : HMDB06524 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C02938 C02938] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.312357.html 312357] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17566 17566] |
| − | * METABOLIGHTS : | + | * METABOLIGHTS : MTBLC17566 |
| − | {{#set: smiles= | + | {{#set: smiles=C2(NC1(C=CC=CC=1C(CC#N)=2))}} |
| − | {{#set: common name= | + | {{#set: common name=indole-3-acetonitrile}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=156.187 }} |
| − | {{#set: common name= | + | {{#set: common name=IAN|indole-3-ylacetonitrile|3-indoleacetonitrile|(indole-3-yl)acetonitrile}} |
| − | {{#set: consumed by= | + | {{#set: consumed by=RXN-7567|RXN-1404}} |
| − | + | ||
Latest revision as of 20:35, 21 March 2018
Contents
Metabolite INDOLEYL-CPD
- smiles:
- C2(NC1(C=CC=CC=1C(CC#N)=2))
- common name:
- indole-3-acetonitrile
- inchi key:
- InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N
- molecular weight:
- 156.187
- Synonym(s):
- IAN
- indole-3-ylacetonitrile
- 3-indoleacetonitrile
- (indole-3-yl)acetonitrile
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- KNAPSACK : C00000107
- HMDB : HMDB06524
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC17566
