Difference between revisions of "C5"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-698 CPD-698] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC...") |
(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 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-HYDROXY-2-METHYLPROPANENITRILE 2-HYDROXY-2-METHYLPROPANENITRILE] == |
* smiles: | * smiles: | ||
| − | ** CC( | + | ** CC(O)(C)C#N |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N |
* common name: | * common name: | ||
| − | ** | + | ** acetone cyanohydrin |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 85.105 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 2-hydroxy-2-methylpropanenitrile |
| − | + | ** 2-hydroxyisobutyronitrile | |
| − | ** | + | |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[RXN-5341]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * NCI: | ||
| + | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=131093 131093] | ||
| + | * CAS : 75-86-5 | ||
| + | * DRUGBANK : DB02203 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6406 6406] |
| + | * HMDB : HMDB60427 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C02659 C02659] |
| − | * | + | * CHEMSPIDER: |
| − | {{#set: smiles=CC( | + | ** [http://www.chemspider.com/Chemical-Structure.6166.html 6166] |
| − | {{#set: inchi key=InChIKey= | + | * CHEBI: |
| − | {{#set: common name= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15348 15348] |
| − | {{#set: molecular weight= | + | {{#set: smiles=CC(O)(C)C#N}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N}} |
| − | {{#set: | + | {{#set: common name=acetone cyanohydrin}} |
| + | {{#set: molecular weight=85.105 }} | ||
| + | {{#set: common name=2-hydroxy-2-methylpropanenitrile|2-hydroxyisobutyronitrile}} | ||
| + | {{#set: produced by=RXN-5341}} | ||
Revision as of 21:55, 17 March 2018
Contents
Metabolite 2-HYDROXY-2-METHYLPROPANENITRILE
- smiles:
- CC(O)(C)C#N
- inchi key:
- InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
- common name:
- acetone cyanohydrin
- molecular weight:
- 85.105
- Synonym(s):
- 2-hydroxy-2-methylpropanenitrile
- 2-hydroxyisobutyronitrile
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- NCI:
- CAS : 75-86-5
- DRUGBANK : DB02203
- PUBCHEM:
- HMDB : HMDB60427
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
