Difference between revisions of "CPD-3486"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3486 CPD-3486] == * smiles: ** C1(C=C(Cl)C=C(C=1)C(=O)[O-]) * common name: ** 3-chlorobenzo...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(C=C(Cl)C=C(C=1)C(=O)[O-]) | ** C1(C=C(Cl)C=C(C=1)C(=O)[O-]) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 155.56 | ** 155.56 | ||
| + | * inchi key: | ||
| + | ** InChIKey=LULAYUGMBFYYEX-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 3-chlorobenzoate | ||
* Synonym(s): | * Synonym(s): | ||
** m-chlorobenzoic acid | ** m-chlorobenzoic acid | ||
| Line 20: | Line 20: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=19984 19984] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3014955 3014955] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3014955 3014955] | ||
| + | * HMDB : HMDB01544 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.2283202.html 2283202] | ** [http://www.chemspider.com/Chemical-Structure.2283202.html 2283202] | ||
| − | |||
| − | |||
| − | |||
{{#set: smiles=C1(C=C(Cl)C=C(C=1)C(=O)[O-])}} | {{#set: smiles=C1(C=C(Cl)C=C(C=1)C(=O)[O-])}} | ||
| − | |||
| − | |||
{{#set: molecular weight=155.56 }} | {{#set: molecular weight=155.56 }} | ||
| + | {{#set: inchi key=InChIKey=LULAYUGMBFYYEX-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=3-chlorobenzoate}} | ||
{{#set: common name=m-chlorobenzoic acid|3-chlorobenzoic acid|m-chlorobenzoate|meta-chlorobenzoate}} | {{#set: common name=m-chlorobenzoic acid|3-chlorobenzoic acid|m-chlorobenzoate|meta-chlorobenzoate}} | ||
{{#set: produced by=RXN-9910}} | {{#set: produced by=RXN-9910}} | ||
Latest revision as of 13:39, 10 January 2019
Contents
Metabolite CPD-3486
- smiles:
- C1(C=C(Cl)C=C(C=1)C(=O)[O-])
- molecular weight:
- 155.56
- inchi key:
- InChIKey=LULAYUGMBFYYEX-UHFFFAOYSA-M
- common name:
- 3-chlorobenzoate
- Synonym(s):
- m-chlorobenzoic acid
- 3-chlorobenzoic acid
- m-chlorobenzoate
- meta-chlorobenzoate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C1(C=C(Cl)C=C(C=1)C(=O)[O-])" cannot be used as a page name in this wiki.
