Difference between revisions of "CPD-14596"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARIN COUMARIN] == * smiles: ** C1(OC2(=CC=CC=C(C=C1)2))=O * inchi key: ** InChIKey=ZYGHJZDH...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == * smiles: ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N |
* common name: | * common name: | ||
| − | ** | + | ** neolinustatin |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 423.416 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** butanenitrile |
| − | ** | + | ** [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)] |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN-13603]] | ||
== 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 == | ||
| − | |||
| − | |||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336] |
| − | + | ||
| − | + | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506] |
| − | * | + | * PUBCHEM: |
| − | {{#set: smiles= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533] |
| − | {{#set: inchi key=InChIKey= | + | * HMDB : HMDB38482 |
| − | {{#set: common name= | + | {{#set: smiles=CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C}} |
| − | {{#set: molecular weight= | + | {{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}} |
| − | {{#set: common name= | + | {{#set: common name=neolinustatin}} |
| − | {{#set: | + | {{#set: molecular weight=423.416 }} |
| + | {{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}} | ||
| + | {{#set: consumed by=RXN-13603}} | ||
Latest revision as of 19:58, 21 March 2018
Contents
Metabolite CPD-14596
- smiles:
- CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
- inchi key:
- InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
- common name:
- neolinustatin
- molecular weight:
- 423.416
- Synonym(s):
- butanenitrile
- [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
