Difference between revisions of "OCTANOL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OCTANOL OCTANOL] == * smiles: ** CCCCCCCCO * common name: ** 1-octanol * inchi key: ** InChIKey...") |
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* smiles: | * smiles: | ||
** CCCCCCCCO | ** CCCCCCCCO | ||
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* molecular weight: | * molecular weight: | ||
** 130.23 | ** 130.23 | ||
| + | * inchi key: | ||
| + | ** InChIKey=KBPLFHHGFOOTCA-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 1-octanol | ||
* Synonym(s): | * Synonym(s): | ||
** octan-1-ol | ** octan-1-ol | ||
| Line 22: | Line 22: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.932.html 932] | ** [http://www.chemspider.com/Chemical-Structure.932.html 932] | ||
| + | * METABOLIGHTS : MTBLC16188 | ||
| + | * REFMET : n-octanol | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=957 957] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16188 16188] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16188 16188] | ||
| − | * | + | * CAS : 111-87-5 |
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00756 C00756] | ||
| + | * HMDB : HMDB01183 | ||
{{#set: smiles=CCCCCCCCO}} | {{#set: smiles=CCCCCCCCO}} | ||
| − | |||
| − | |||
{{#set: molecular weight=130.23 }} | {{#set: molecular weight=130.23 }} | ||
| + | {{#set: inchi key=InChIKey=KBPLFHHGFOOTCA-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=1-octanol}} | ||
{{#set: common name=octan-1-ol|caprylic alcohol|N-octanol|octyl-alcohol|N-octyl-alcohol|octanol}} | {{#set: common name=octan-1-ol|caprylic alcohol|N-octanol|octyl-alcohol|N-octyl-alcohol|octanol}} | ||
{{#set: produced by=ALKANE-1-MONOOXYGENASE-RXN}} | {{#set: produced by=ALKANE-1-MONOOXYGENASE-RXN}} | ||
Latest revision as of 12:11, 10 January 2019
Contents
Metabolite OCTANOL
- smiles:
- CCCCCCCCO
- molecular weight:
- 130.23
- inchi key:
- InChIKey=KBPLFHHGFOOTCA-UHFFFAOYSA-N
- common name:
- 1-octanol
- Synonym(s):
- octan-1-ol
- caprylic alcohol
- N-octanol
- octyl-alcohol
- N-octyl-alcohol
- octanol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- METABOLIGHTS : MTBLC16188
- REFMET : n-octanol
- PUBCHEM:
- CHEBI:
- CAS : 111-87-5
- LIGAND-CPD:
- HMDB : HMDB01183
