Difference between revisions of "INDOLE ACETALDEHYDE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE_ACETALDEHYDE INDOLE_ACETALDEHYDE] == * smiles: ** C(CC1(C2(=C(NC=1)C=CC=C2)))=O * inchi...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(CC1(C2(=C(NC=1)C=CC=C2)))=O | ** C(CC1(C2(=C(NC=1)C=CC=C2)))=O | ||
| + | * molecular weight: | ||
| + | ** 159.187 | ||
* inchi key: | * inchi key: | ||
** InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N | ** InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** indole acetaldehyde | ** indole acetaldehyde | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** indole-3-acetaldehyde | ** indole-3-acetaldehyde | ||
| Line 15: | Line 15: | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN-10715]] | ||
* [[RXN-10717]] | * [[RXN-10717]] | ||
* [[RXN-5581]] | * [[RXN-5581]] | ||
| − | |||
== 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 == | ||
| + | * METABOLIGHTS : MTBLC18086 | ||
* CAS : 2591-98-2 | * CAS : 2591-98-2 | ||
| − | |||
| − | |||
* HMDB : HMDB01190 | * HMDB : HMDB01190 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.778.html 778] | ** [http://www.chemspider.com/Chemical-Structure.778.html 778] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18086 18086] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18086 18086] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00637 C00637] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=800 800] | ||
{{#set: smiles=C(CC1(C2(=C(NC=1)C=CC=C2)))=O}} | {{#set: smiles=C(CC1(C2(=C(NC=1)C=CC=C2)))=O}} | ||
| + | {{#set: molecular weight=159.187 }} | ||
{{#set: inchi key=InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N}} | ||
{{#set: common name=indole acetaldehyde}} | {{#set: common name=indole acetaldehyde}} | ||
| − | |||
{{#set: common name=indole-3-acetaldehyde|2-(indol-3-yl)acetaldehyde|(indol-3-yl)acetaldehyde}} | {{#set: common name=indole-3-acetaldehyde|2-(indol-3-yl)acetaldehyde|(indol-3-yl)acetaldehyde}} | ||
| − | {{#set: consumed by=RXN- | + | {{#set: consumed by=RXN-10715|RXN-10717|RXN-5581}} |
Latest revision as of 14:59, 9 January 2019
Contents
Metabolite INDOLE_ACETALDEHYDE
- smiles:
- C(CC1(C2(=C(NC=1)C=CC=C2)))=O
- molecular weight:
- 159.187
- inchi key:
- InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N
- common name:
- indole acetaldehyde
- Synonym(s):
- indole-3-acetaldehyde
- 2-(indol-3-yl)acetaldehyde
- (indol-3-yl)acetaldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC18086
- CAS : 2591-98-2
- HMDB : HMDB01190
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
