Difference between revisions of "CPD-7033"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7033 CPD-7033] == * smiles: ** CCC(CO)C * common name: ** 2-methylbutanol * inchi key: ** I...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCC(CO)C | ** CCC(CO)C | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 88.149 | ** 88.149 | ||
| + | * inchi key: | ||
| + | ** InChIKey=QPRQEDXDYOZYLA-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 2-methylbutanol | ||
* Synonym(s): | * Synonym(s): | ||
** active amyl alcohol | ** active amyl alcohol | ||
| Line 20: | Line 20: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48945 48945] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8723 8723] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8723 8723] | ||
| + | * HMDB : HMDB31527 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.8398.html 8398] | ** [http://www.chemspider.com/Chemical-Structure.8398.html 8398] | ||
| − | |||
| − | |||
| − | |||
{{#set: smiles=CCC(CO)C}} | {{#set: smiles=CCC(CO)C}} | ||
| − | |||
| − | |||
{{#set: molecular weight=88.149 }} | {{#set: molecular weight=88.149 }} | ||
| + | {{#set: inchi key=InChIKey=QPRQEDXDYOZYLA-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=2-methylbutanol}} | ||
{{#set: common name=active amyl alcohol|2-methyl-n-butanol|2-methylbutyl alcohol|sec-butylcarbinol}} | {{#set: common name=active amyl alcohol|2-methyl-n-butanol|2-methylbutyl alcohol|sec-butylcarbinol}} | ||
{{#set: produced by=RXN-7694}} | {{#set: produced by=RXN-7694}} | ||
Latest revision as of 11:07, 10 January 2019
Contents
Metabolite CPD-7033
- smiles:
- CCC(CO)C
- molecular weight:
- 88.149
- inchi key:
- InChIKey=QPRQEDXDYOZYLA-UHFFFAOYSA-N
- common name:
- 2-methylbutanol
- Synonym(s):
- active amyl alcohol
- 2-methyl-n-butanol
- 2-methylbutyl alcohol
- sec-butylcarbinol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
