Difference between revisions of "INDOLEYL-CPD"
From metabolic_network
(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)) * inchi key: ** InChIKey...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C2(NC1(C=CC=CC=1C(CC#N)=2)) | ** C2(NC1(C=CC=CC=1C(CC#N)=2)) | ||
| + | * molecular weight: | ||
| + | ** 156.187 | ||
* inchi key: | * inchi key: | ||
** InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N | ** InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** indole-3-acetonitrile | ** indole-3-acetonitrile | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** IAN | ** IAN | ||
| Line 20: | Line 20: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* KNAPSACK : C00000107 | * KNAPSACK : C00000107 | ||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C02938 C02938] | ** [http://www.genome.jp/dbget-bin/www_bget?C02938 C02938] | ||
| + | * HMDB : HMDB06524 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.312357.html 312357] | ** [http://www.chemspider.com/Chemical-Structure.312357.html 312357] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17566 17566] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17566 17566] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=351795 351795] | ||
* METABOLIGHTS : MTBLC17566 | * METABOLIGHTS : MTBLC17566 | ||
{{#set: smiles=C2(NC1(C=CC=CC=1C(CC#N)=2))}} | {{#set: smiles=C2(NC1(C=CC=CC=1C(CC#N)=2))}} | ||
| + | {{#set: molecular weight=156.187 }} | ||
{{#set: inchi key=InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N}} | ||
{{#set: common name=indole-3-acetonitrile}} | {{#set: common name=indole-3-acetonitrile}} | ||
| − | |||
{{#set: common name=IAN|indole-3-ylacetonitrile|3-indoleacetonitrile|(indole-3-yl)acetonitrile}} | {{#set: common name=IAN|indole-3-ylacetonitrile|3-indoleacetonitrile|(indole-3-yl)acetonitrile}} | ||
{{#set: consumed by=RXN-1404}} | {{#set: consumed by=RXN-1404}} | ||
Latest revision as of 16:09, 9 January 2019
Contents
Metabolite INDOLEYL-CPD
- smiles:
- C2(NC1(C=CC=CC=1C(CC#N)=2))
- molecular weight:
- 156.187
- inchi key:
- InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N
- common name:
- indole-3-acetonitrile
- 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
- KNAPSACK : C00000107
- LIGAND-CPD:
- HMDB : HMDB06524
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
- METABOLIGHTS : MTBLC17566
