Difference between revisions of "BENZENE-NO2"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZENE-NO2 BENZENE-NO2] == * smiles: ** C1(=CC=C(C=C1)[N+]([O-])=O) * common name: ** nitroben...") |
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* smiles: | * smiles: | ||
** C1(=CC=C(C=C1)[N+]([O-])=O) | ** C1(=CC=C(C=C1)[N+]([O-])=O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 123.111 | ** 123.111 | ||
| + | * inchi key: | ||
| + | ** InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** nitrobenzene | ||
* Synonym(s): | * Synonym(s): | ||
** benzene-NO2 | ** benzene-NO2 | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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| − | |||
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| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7138.html 7138] | ** [http://www.chemspider.com/Chemical-Structure.7138.html 7138] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7416 7416] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27798 27798] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27798 27798] | ||
| + | * CAS : 98-95-3 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C06813 C06813] | ||
| + | * HMDB : HMDB41950 | ||
{{#set: smiles=C1(=CC=C(C=C1)[N+]([O-])=O)}} | {{#set: smiles=C1(=CC=C(C=C1)[N+]([O-])=O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=123.111 }} | {{#set: molecular weight=123.111 }} | ||
| + | {{#set: inchi key=InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=nitrobenzene}} | ||
{{#set: common name=benzene-NO2|nitro-benzene}} | {{#set: common name=benzene-NO2|nitro-benzene}} | ||
{{#set: consumed by=RXN-3661}} | {{#set: consumed by=RXN-3661}} | ||
Latest revision as of 15:19, 10 January 2019
Contents
Metabolite BENZENE-NO2
- smiles:
- C1(=CC=C(C=C1)[N+]([O-])=O)
- molecular weight:
- 123.111
- inchi key:
- InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N
- common name:
- nitrobenzene
- Synonym(s):
- benzene-NO2
- nitro-benzene
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C1(=CC=C(C=C1)[N+]([O-])=O)" cannot be used as a page name in this wiki.
