Difference between revisions of "CPD-14596"
From metabolic_network
(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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* 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 | ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 423.416 | ** 423.416 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N | ||
| + | * common name: | ||
| + | ** neolinustatin | ||
* Synonym(s): | * Synonym(s): | ||
** butanenitrile | ** butanenitrile | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533] | ||
| + | * HMDB : HMDB38482 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336] | ||
{{#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: 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=423.416 }} | {{#set: molecular weight=423.416 }} | ||
| + | {{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}} | ||
| + | {{#set: common name=neolinustatin}} | ||
{{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}} | {{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}} | ||
{{#set: consumed by=RXN-13603}} | {{#set: consumed by=RXN-13603}} | ||
Latest revision as of 15:18, 10 January 2019
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
- molecular weight:
- 423.416
- inchi key:
- InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
- common name:
- neolinustatin
- 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
