Difference between revisions of "BETAINE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE BETAINE] == * smiles: ** C[N+](C)(CC([O-])=O)C * common name: ** glycine betaine * inch...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C[N+](C)(CC([O-])=O)C | ** C[N+](C)(CC([O-])=O)C | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 117.147 | ** 117.147 | ||
| + | * inchi key: | ||
| + | ** InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** glycine betaine | ||
* Synonym(s): | * Synonym(s): | ||
** oxyneurine | ** oxyneurine | ||
| Line 21: | Line 21: | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
* [[RXN-9680]] | * [[RXN-9680]] | ||
| − | |||
* [[RXN-13405]] | * [[RXN-13405]] | ||
| + | * [[RXN-13406]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
* [[BADH-RXN]] | * [[BADH-RXN]] | ||
| + | * [[RXN-4208-CPD-4124/DIMETHYL-GLYCINE//CPD-4125/BETAINE.44.]] | ||
* [[RXN-4181-CPD-4101/DIMETHYL-GLYCINE//EPISTEROL/BETAINE.45.]] | * [[RXN-4181-CPD-4101/DIMETHYL-GLYCINE//EPISTEROL/BETAINE.45.]] | ||
| − | |||
== External links == | == External links == | ||
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| − | |||
| − | |||
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| − | |||
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* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.242.html 242] | ** [http://www.chemspider.com/Chemical-Structure.242.html 242] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=247 247] | ||
| + | * REFMET : Betaine | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17750 17750] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17750 17750] | ||
| + | * CAS : 107-43-7 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00719 C00719] | ||
| + | * HMDB : HMDB00043 | ||
* METABOLIGHTS : MTBLC17750 | * METABOLIGHTS : MTBLC17750 | ||
| + | * BIGG : glyb | ||
{{#set: smiles=C[N+](C)(CC([O-])=O)C}} | {{#set: smiles=C[N+](C)(CC([O-])=O)C}} | ||
| − | |||
| − | |||
{{#set: molecular weight=117.147 }} | {{#set: molecular weight=117.147 }} | ||
| + | {{#set: inchi key=InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=glycine betaine}} | ||
{{#set: common name=oxyneurine|lycine|acidin-pepsin|betaine|trimethylammonioacetate|N,N,N-trimethylglycine}} | {{#set: common name=oxyneurine|lycine|acidin-pepsin|betaine|trimethylammonioacetate|N,N,N-trimethylglycine}} | ||
{{#set: consumed by=2.1.1.5-RXN}} | {{#set: consumed by=2.1.1.5-RXN}} | ||
| − | {{#set: produced by=RXN-9680|RXN- | + | {{#set: produced by=RXN-9680|RXN-13405|RXN-13406}} |
| − | {{#set: reversible reaction associated=BADH-RXN|RXN- | + | {{#set: reversible reaction associated=BADH-RXN|RXN-4208-CPD-4124/DIMETHYL-GLYCINE//CPD-4125/BETAINE.44.|RXN-4181-CPD-4101/DIMETHYL-GLYCINE//EPISTEROL/BETAINE.45.}} |
Latest revision as of 16:20, 10 January 2019
Contents
Metabolite BETAINE
- smiles:
- C[N+](C)(CC([O-])=O)C
- molecular weight:
- 117.147
- inchi key:
- InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N
- common name:
- glycine betaine
- Synonym(s):
- oxyneurine
- lycine
- acidin-pepsin
- betaine
- trimethylammonioacetate
- N,N,N-trimethylglycine
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
- BADH-RXN
- RXN-4208-CPD-4124/DIMETHYL-GLYCINE//CPD-4125/BETAINE.44.
- RXN-4181-CPD-4101/DIMETHYL-GLYCINE//EPISTEROL/BETAINE.45.
External links
- CHEMSPIDER:
- PUBCHEM:
- REFMET : Betaine
- CHEBI:
- CAS : 107-43-7
- LIGAND-CPD:
- HMDB : HMDB00043
- METABOLIGHTS : MTBLC17750
- BIGG : glyb
"C[N+](C)(CC([O-])=O)C" cannot be used as a page name in this wiki.
