Difference between revisions of "OCTANOL"

Latest revision as of 12:11, 10 January 2019

@@ Line 3: / Line 3: @@
 * smiles:
 ** CCCCCCCCO
-* common name:
-** 1-octanol
-* inchi key:
-** InChIKey=KBPLFHHGFOOTCA-UHFFFAOYSA-N
 * molecular weight:
 ** 130.23
+* inchi key:
+** InChIKey=KBPLFHHGFOOTCA-UHFFFAOYSA-N
+* common name:
+** 1-octanol
 * Synonym(s):
 ** octan-1-ol
@@ Line 22: / Line 22: @@
 == Reaction(s) of unknown directionality ==
 == External links  ==
-* CAS : 111-87-5
-* PUBCHEM:
-** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=957 957]
-* HMDB : HMDB01183
-* LIGAND-CPD:
-** [http://www.genome.jp/dbget-bin/www_bget?C00756 C00756]
 * CHEMSPIDER:
 ** [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:
 ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16188 16188]
-* METABOLIGHTS : MTBLC16188
+* CAS : 111-87-5
+* LIGAND-CPD:
+** [http://www.genome.jp/dbget-bin/www_bget?C00756 C00756]
+* HMDB : HMDB01183
 {{#set: smiles=CCCCCCCCO}}
-{{#set: common name=1-octanol}}
-{{#set: inchi key=InChIKey=KBPLFHHGFOOTCA-UHFFFAOYSA-N}}
 {{#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: produced by=ALKANE-1-MONOOXYGENASE-RXN}}