Difference between revisions of "CPD-12014"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12014 CPD-12014] == * smiles: ** CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2)) * inchi key: ** InCh...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2)) | ** CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2)) | ||
| + | * molecular weight: | ||
| + | ** 248.281 | ||
* inchi key: | * inchi key: | ||
** InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N | ** InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** 6-hydroxymelatonin | ** 6-hydroxymelatonin | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC2198 |
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05643 C05643] | ** [http://www.genome.jp/dbget-bin/www_bget?C05643 C05643] | ||
| + | * HMDB : HMDB04081 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.1794.html 1794] | ** [http://www.chemspider.com/Chemical-Structure.1794.html 1794] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2198 2198] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2198 2198] | ||
| − | * | + | * PUBCHEM: |
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1864 1864] | ||
{{#set: smiles=CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))}} | {{#set: smiles=CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))}} | ||
| + | {{#set: molecular weight=248.281 }} | ||
{{#set: inchi key=InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N}} | ||
{{#set: common name=6-hydroxymelatonin}} | {{#set: common name=6-hydroxymelatonin}} | ||
| − | |||
{{#set: produced by=RXN-11056}} | {{#set: produced by=RXN-11056}} | ||
Latest revision as of 17:21, 9 January 2019
Contents
Metabolite CPD-12014
- smiles:
- CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))
- molecular weight:
- 248.281
- inchi key:
- InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N
- common name:
- 6-hydroxymelatonin
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC2198
- LIGAND-CPD:
- HMDB : HMDB04081
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
