Difference between revisions of "1-7-DIMETHYLXANTHINE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2)) *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2)) | ** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2)) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 180.166 | ** 180.166 | ||
| + | * inchi key: | ||
| + | ** InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** paraxanthine | ||
* Synonym(s): | * Synonym(s): | ||
** 1,7-dimethylxanthine | ** 1,7-dimethylxanthine | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.4525.html 4525] | ||
| + | * REFMET : Paraxanthine | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4687 4687] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4687 4687] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25858 25858] | ||
* HMDB : HMDB01860 | * HMDB : HMDB01860 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C13747 C13747] | ** [http://www.genome.jp/dbget-bin/www_bget?C13747 C13747] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* METABOLIGHTS : MTBLC25858 | * METABOLIGHTS : MTBLC25858 | ||
{{#set: smiles=CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))}} | {{#set: smiles=CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=180.166 }} | {{#set: molecular weight=180.166 }} | ||
| + | {{#set: inchi key=InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=paraxanthine}} | ||
{{#set: common name=1,7-dimethylxanthine}} | {{#set: common name=1,7-dimethylxanthine}} | ||
{{#set: consumed by=RXN-11520}} | {{#set: consumed by=RXN-11520}} | ||
Latest revision as of 14:37, 10 January 2019
Contents
Metabolite 1-7-DIMETHYLXANTHINE
- smiles:
- CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))
- molecular weight:
- 180.166
- inchi key:
- InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N
- common name:
- paraxanthine
- Synonym(s):
- 1,7-dimethylxanthine
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- REFMET : Paraxanthine
- PUBCHEM:
- CHEBI:
- HMDB : HMDB01860
- LIGAND-CPD:
- METABOLIGHTS : MTBLC25858
