Difference between revisions of "3-7-DIMETHYLXANTHINE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2)) *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2)) | ** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2)) | ||
| + | * molecular weight: | ||
| + | ** 180.166 | ||
* inchi key: | * inchi key: | ||
** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N | ** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** theobromine | ** theobromine | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 3,7-dimethylxanthine | ** 3,7-dimethylxanthine | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC28946 |
| − | + | ||
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480] | ** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480] | ||
| + | * HMDB : HMDB02825 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.5236.html 5236] | ** [http://www.chemspider.com/Chemical-Structure.5236.html 5236] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28946 28946] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28946 28946] | ||
| − | * | + | * DRUGBANK : DB01412 |
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429] | ||
{{#set: smiles=CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))}} | {{#set: smiles=CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))}} | ||
| + | {{#set: molecular weight=180.166 }} | ||
{{#set: inchi key=InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N}} | ||
{{#set: common name=theobromine}} | {{#set: common name=theobromine}} | ||
| − | |||
{{#set: common name=3,7-dimethylxanthine}} | {{#set: common name=3,7-dimethylxanthine}} | ||
{{#set: consumed by=RXN-11519}} | {{#set: consumed by=RXN-11519}} | ||
Latest revision as of 16:56, 9 January 2019
Contents
Metabolite 3-7-DIMETHYLXANTHINE
- smiles:
- CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
- molecular weight:
- 180.166
- inchi key:
- InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
- common name:
- theobromine
- Synonym(s):
- 3,7-dimethylxanthine
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC28946
- LIGAND-CPD:
- HMDB : HMDB02825
- CHEMSPIDER:
- CHEBI:
- DRUGBANK : DB01412
- PUBCHEM:
