Difference between revisions of "CPD-10420"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10420 CPD-10420] == * smiles: ** C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1) * common name: *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1) | ** C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 220.153 | ** 220.153 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WEEOYKXHMIPYQX-UHFFFAOYSA-L | ||
| + | * common name: | ||
| + | ** 4-sulfomuconolactone | ||
* Synonym(s): | * Synonym(s): | ||
** 4-carboxymethylen-4-sulfo-but-2-en-olide | ** 4-carboxymethylen-4-sulfo-but-2-en-olide | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20479 20479] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543219 9543219] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543219 9543219] | ||
| + | * UM-BBD-CPD : c0553 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7822192.html 7822192] | ** [http://www.chemspider.com/Chemical-Structure.7822192.html 7822192] | ||
| − | |||
| − | |||
| − | |||
{{#set: smiles=C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1)}} | {{#set: smiles=C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=220.153 }} | {{#set: molecular weight=220.153 }} | ||
| + | {{#set: inchi key=InChIKey=WEEOYKXHMIPYQX-UHFFFAOYSA-L}} | ||
| + | {{#set: common name=4-sulfomuconolactone}} | ||
{{#set: common name=4-carboxymethylen-4-sulfo-but-2-en-olide}} | {{#set: common name=4-carboxymethylen-4-sulfo-but-2-en-olide}} | ||
{{#set: consumed by=RXN-9733}} | {{#set: consumed by=RXN-9733}} | ||
Latest revision as of 13:57, 10 January 2019
Contents
Metabolite CPD-10420
- smiles:
- C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1)
- molecular weight:
- 220.153
- inchi key:
- InChIKey=WEEOYKXHMIPYQX-UHFFFAOYSA-L
- common name:
- 4-sulfomuconolactone
- Synonym(s):
- 4-carboxymethylen-4-sulfo-but-2-en-olide
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1)" cannot be used as a page name in this wiki.
