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-...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7032 CPD-7032] == * smiles: ** CC(CCO)C * common name: ** 3-methylbutanol * inchi key: ** I...") |
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* smiles: | * smiles: | ||
** CC(CCO)C | ** CC(CCO)C | ||
| − | |||
| − | |||
* common name: | * common name: | ||
** 3-methylbutanol | ** 3-methylbutanol | ||
| + | * inchi key: | ||
| + | ** InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N | ||
* molecular weight: | * molecular weight: | ||
** 88.149 | ** 88.149 | ||
| Line 29: | Line 29: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15837 15837] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15837 15837] | ||
{{#set: smiles=CC(CCO)C}} | {{#set: smiles=CC(CCO)C}} | ||
| − | |||
{{#set: common name=3-methylbutanol}} | {{#set: common name=3-methylbutanol}} | ||
| + | {{#set: inchi key=InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N}} | ||
{{#set: molecular weight=88.149 }} | {{#set: molecular weight=88.149 }} | ||
{{#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 19:55, 21 March 2018
Contents
Metabolite CPD-7032
- smiles:
- CC(CCO)C
- common name:
- 3-methylbutanol
- inchi key:
- InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N
- molecular weight:
- 88.149
- 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
- DRUGBANK : DB02296
- PUBCHEM:
- HMDB : HMDB06007
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
