Difference between revisions of "ISOBUTANOL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOBUTANOL ISOBUTANOL] == * smiles: ** CC(C)CO * common name: ** isobutanol * inchi key: ** InC...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)CO | ** CC(C)CO | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 74.122 | ** 74.122 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** isobutanol | ||
* Synonym(s): | * Synonym(s): | ||
** 2-methyl-1-propanol | ** 2-methyl-1-propanol | ||
| Line 20: | Line 20: | ||
* [[RXN-7657]] | * [[RXN-7657]] | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=46645 46645] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6560 6560] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6560 6560] | ||
| − | |||
| − | |||
* HMDB : HMDB06006 | * HMDB : HMDB06006 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C14710 C14710] | ** [http://www.genome.jp/dbget-bin/www_bget?C14710 C14710] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.6312.html 6312] | ||
{{#set: smiles=CC(C)CO}} | {{#set: smiles=CC(C)CO}} | ||
| − | |||
| − | |||
{{#set: molecular weight=74.122 }} | {{#set: molecular weight=74.122 }} | ||
| + | {{#set: inchi key=InChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=isobutanol}} | ||
{{#set: common name=2-methyl-1-propanol|1-hydroxymethylpropane|2-methylpropanol|isobutyl alcohol}} | {{#set: common name=2-methyl-1-propanol|1-hydroxymethylpropane|2-methylpropanol|isobutyl alcohol}} | ||
{{#set: reversible reaction associated=RXN-7657}} | {{#set: reversible reaction associated=RXN-7657}} | ||
Latest revision as of 12:37, 10 January 2019
Contents
Metabolite ISOBUTANOL
- smiles:
- CC(C)CO
- molecular weight:
- 74.122
- inchi key:
- InChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
- common name:
- isobutanol
- Synonym(s):
- 2-methyl-1-propanol
- 1-hydroxymethylpropane
- 2-methylpropanol
- isobutyl alcohol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
