Difference between revisions of "CPD-7032"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7032 CPD-7032] == * smiles: ** CC(CCO)C * inchi key: ** InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(CCO)C | ** CC(CCO)C | ||
| + | * molecular weight: | ||
| + | ** 88.149 | ||
* inchi key: | * inchi key: | ||
** InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N | ** InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** 3-methylbutanol | ** 3-methylbutanol | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** isoamyl alcohol | ** isoamyl alcohol | ||
| Line 18: | Line 18: | ||
* [[RXN-7693]] | * [[RXN-7693]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C07328 C07328] | ** [http://www.genome.jp/dbget-bin/www_bget?C07328 C07328] | ||
| + | * HMDB : HMDB06007 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.13500715.html 13500715] | ** [http://www.chemspider.com/Chemical-Structure.13500715.html 13500715] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15837 15837] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15837 15837] | ||
| + | * DRUGBANK : DB02296 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31260 31260] | ||
{{#set: smiles=CC(CCO)C}} | {{#set: smiles=CC(CCO)C}} | ||
| + | {{#set: molecular weight=88.149 }} | ||
{{#set: inchi key=InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N}} | ||
{{#set: common name=3-methylbutanol}} | {{#set: common name=3-methylbutanol}} | ||
| − | |||
{{#set: common name=isoamyl alcohol|isopentanol}} | {{#set: common name=isoamyl alcohol|isopentanol}} | ||
{{#set: reversible reaction associated=RXN-7693}} | {{#set: reversible reaction associated=RXN-7693}} | ||
Latest revision as of 16:59, 9 January 2019
Contents
Metabolite CPD-7032
- smiles:
- CC(CCO)C
- molecular weight:
- 88.149
- inchi key:
- InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N
- common name:
- 3-methylbutanol
- Synonym(s):
- isoamyl alcohol
- isopentanol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- LIGAND-CPD:
- HMDB : HMDB06007
- CHEMSPIDER:
- CHEBI:
- DRUGBANK : DB02296
- PUBCHEM:
