Difference between revisions of "CPD-16817"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-108 CPD-108] == * smiles: ** CC1(C=CC(=CC=1)O) * inchi key: ** InChIKey=IWDCLRJOBJJRNH-UHFF...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16817 CPD-16817] == * smiles: ** C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2)) * inchi key: ** In...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16817 CPD-16817] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2)) |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M |
* common name: | * common name: | ||
| − | ** | + | ** indoxyl sulfate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 212.2 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** indol-3-yl sulfate |
| − | + | ||
| − | + | ||
| − | + | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | * [[RXN- | + | * [[RXN-15587]] |
== External links == | == External links == | ||
| − | |||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4453098 4453098] |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=43355 43355] |
| − | * | + | * HMDB : HMDB00682 |
| − | {{#set: smiles= | + | {{#set: smiles=C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M}} |
| − | {{#set: common name= | + | {{#set: common name=indoxyl sulfate}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=212.2 }} |
| − | {{#set: common name= | + | {{#set: common name=indol-3-yl sulfate}} |
| − | {{#set: reversible reaction associated=RXN- | + | {{#set: reversible reaction associated=RXN-15587}} |
Latest revision as of 20:49, 21 March 2018
Contents
Metabolite CPD-16817
- smiles:
- C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))
- inchi key:
- InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M
- common name:
- indoxyl sulfate
- molecular weight:
- 212.2
- Synonym(s):
- indol-3-yl sulfate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))" cannot be used as a page name in this wiki.
