Difference between revisions of "2-HYDROXY-2-METHYLPROPANENITRILE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-HYDROXY-2-METHYLPROPANENITRILE 2-HYDROXY-2-METHYLPROPANENITRILE] == * smiles: ** CC(O)(C)C#N...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(O)(C)C#N | ** CC(O)(C)C#N | ||
| + | * molecular weight: | ||
| + | ** 85.105 | ||
* inchi key: | * inchi key: | ||
** InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N | ** InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** 2-hydroxy-2-methylpropanenitrile | ** 2-hydroxy-2-methylpropanenitrile | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** acetone cyanohydrin | ** acetone cyanohydrin | ||
| Line 19: | Line 19: | ||
* [[RXN-17607]] | * [[RXN-17607]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CAS : 75-86-5 | * CAS : 75-86-5 | ||
| − | |||
| − | |||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C02659 C02659] | ** [http://www.genome.jp/dbget-bin/www_bget?C02659 C02659] | ||
| + | * HMDB : HMDB60427 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.6166.html 6166] | ** [http://www.chemspider.com/Chemical-Structure.6166.html 6166] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15348 15348] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15348 15348] | ||
| + | * DRUGBANK : DB02203 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6406 6406] | ||
| + | * NCI: | ||
| + | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=131093 131093] | ||
{{#set: smiles=CC(O)(C)C#N}} | {{#set: smiles=CC(O)(C)C#N}} | ||
| + | {{#set: molecular weight=85.105 }} | ||
{{#set: inchi key=InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N}} | ||
{{#set: common name=2-hydroxy-2-methylpropanenitrile}} | {{#set: common name=2-hydroxy-2-methylpropanenitrile}} | ||
| − | |||
{{#set: common name=acetone cyanohydrin|2-hydroxyisobutyronitrile}} | {{#set: common name=acetone cyanohydrin|2-hydroxyisobutyronitrile}} | ||
{{#set: produced by=RXN-5341}} | {{#set: produced by=RXN-5341}} | ||
{{#set: reversible reaction associated=RXN-17607}} | {{#set: reversible reaction associated=RXN-17607}} | ||
Latest revision as of 18:00, 9 January 2019
Contents
Metabolite 2-HYDROXY-2-METHYLPROPANENITRILE
- smiles:
- CC(O)(C)C#N
- molecular weight:
- 85.105
- inchi key:
- InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
- common name:
- 2-hydroxy-2-methylpropanenitrile
- Synonym(s):
- acetone cyanohydrin
- 2-hydroxyisobutyronitrile
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 75-86-5
- LIGAND-CPD:
- HMDB : HMDB60427
- CHEMSPIDER:
- CHEBI:
- DRUGBANK : DB02203
- PUBCHEM:
- NCI:
