Difference between revisions of "BUTANEDIOL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACRYLYL-COA ACRYLYL-COA] == * smiles: ** C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTANEDIOL BUTANEDIOL] == * smiles: ** CC(C(O)C)O * inchi key: ** InChIKey=OWBTYPJTUOEWEK-QWWZW...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTANEDIOL BUTANEDIOL] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CC(C(O)C)O |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=OWBTYPJTUOEWEK-QWWZWVQMSA-N |
* common name: | * common name: | ||
| − | ** | + | ** (R,R)-2,3-butanediol |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 90.122 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** D(-)-2,3-butanediol |
| − | ** | + | ** 2,3-butylene glycol |
| − | ** | + | ** 2,3-butanediol |
| + | ** butanediol | ||
| + | ** (R,R)-butane-2,3-diol | ||
| + | ** (R,R)-2,3-butylene glycol | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | * [[ | + | * [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]] |
== External links == | == External links == | ||
| − | * CAS : | + | * CAS : 24347-58-8 |
| + | * DRUGBANK : DB02418 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=225936 225936] |
| − | * HMDB : | + | * HMDB : HMDB33007 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C03044 C03044] |
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.196452.html 196452] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16982 16982] |
| − | + | {{#set: smiles=CC(C(O)C)O}} | |
| − | {{#set: smiles | + | {{#set: inchi key=InChIKey=OWBTYPJTUOEWEK-QWWZWVQMSA-N}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: common name=(R,R)-2,3-butanediol}} |
| − | {{#set: common name= | + | {{#set: molecular weight=90.122 }} |
| − | {{#set: molecular weight= | + | {{#set: common name=D(-)-2,3-butanediol|2,3-butylene glycol|2,3-butanediol|butanediol|(R,R)-butane-2,3-diol|(R,R)-2,3-butylene glycol}} |
| − | {{#set: common name= | + | {{#set: reversible reaction associated=RR-BUTANEDIOL-DEHYDROGENASE-RXN}} |
| − | {{#set: reversible reaction associated= | + | |
Latest revision as of 20:59, 21 March 2018
Contents
Metabolite BUTANEDIOL
- smiles:
- CC(C(O)C)O
- inchi key:
- InChIKey=OWBTYPJTUOEWEK-QWWZWVQMSA-N
- common name:
- (R,R)-2,3-butanediol
- molecular weight:
- 90.122
- Synonym(s):
- D(-)-2,3-butanediol
- 2,3-butylene glycol
- 2,3-butanediol
- butanediol
- (R,R)-butane-2,3-diol
- (R,R)-2,3-butylene glycol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 24347-58-8
- DRUGBANK : DB02418
- PUBCHEM:
- HMDB : HMDB33007
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
