Difference between revisions of "CPD-16825"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16825 CPD-16825] == * smiles: ** C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O) *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O) | ** C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 321.324 | ** 321.324 | ||
| + | * inchi key: | ||
| + | ** InChIKey=UXOJWGSGKUYMIA-GFCCVEGCSA-M | ||
| + | * common name: | ||
| + | ** (S)-equol 4'-sulfate | ||
* Synonym(s): | * Synonym(s): | ||
** 4',7-isoflavandiol 4'-sulfate | ** 4',7-isoflavandiol 4'-sulfate | ||
| Line 20: | Line 20: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=29979373 29979373] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=29979373 29979373] | ||
{{#set: smiles=C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O)}} | {{#set: smiles=C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=321.324 }} | {{#set: molecular weight=321.324 }} | ||
| + | {{#set: inchi key=InChIKey=UXOJWGSGKUYMIA-GFCCVEGCSA-M}} | ||
| + | {{#set: common name=(S)-equol 4'-sulfate}} | ||
{{#set: common name=4',7-isoflavandiol 4'-sulfate}} | {{#set: common name=4',7-isoflavandiol 4'-sulfate}} | ||
{{#set: reversible reaction associated=RXN-15589}} | {{#set: reversible reaction associated=RXN-15589}} | ||
Latest revision as of 13:21, 10 January 2019
Contents
Metabolite CPD-16825
- smiles:
- C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O)
- molecular weight:
- 321.324
- inchi key:
- InChIKey=UXOJWGSGKUYMIA-GFCCVEGCSA-M
- common name:
- (S)-equol 4'-sulfate
- Synonym(s):
- 4',7-isoflavandiol 4'-sulfate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O)" cannot be used as a page name in this wiki.
