Difference between revisions of "CPD-19013"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19013 CPD-19013] == * smiles: ** CC(O)(C)CO * common name: ** 2-methylpropane-1,2-diol * in...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(O)(C)CO | ** CC(O)(C)CO | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 90.122 | ** 90.122 | ||
| + | * inchi key: | ||
| + | ** InChIKey=BTVWZWFKMIUSGS-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 2-methylpropane-1,2-diol | ||
* Synonym(s): | * Synonym(s): | ||
** 2-methyl-1,2-propanediol | ** 2-methyl-1,2-propanediol | ||
| Line 19: | Line 19: | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.61693.html 61693] | ** [http://www.chemspider.com/Chemical-Structure.61693.html 61693] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=131845 131845] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C21290 C21290] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=68410 68410] | ||
{{#set: smiles=CC(O)(C)CO}} | {{#set: smiles=CC(O)(C)CO}} | ||
| − | |||
| − | |||
{{#set: molecular weight=90.122 }} | {{#set: molecular weight=90.122 }} | ||
| + | {{#set: inchi key=InChIKey=BTVWZWFKMIUSGS-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=2-methylpropane-1,2-diol}} | ||
{{#set: common name=2-methyl-1,2-propanediol}} | {{#set: common name=2-methyl-1,2-propanediol}} | ||
{{#set: produced by=RXN-17589}} | {{#set: produced by=RXN-17589}} | ||
Latest revision as of 14:43, 10 January 2019
Contents
Metabolite CPD-19013
- smiles:
- CC(O)(C)CO
- molecular weight:
- 90.122
- inchi key:
- InChIKey=BTVWZWFKMIUSGS-UHFFFAOYSA-N
- common name:
- 2-methylpropane-1,2-diol
- Synonym(s):
- 2-methyl-1,2-propanediol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
