Difference between revisions of "CPD-313"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6701 CPD-6701] == * smiles: ** C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(O)C(O)1) * inchi key: **...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14115 CPD-14115] == * smiles: ** C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O) * inchi key:...") |
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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-14115 CPD-14115] == |
* smiles: | * smiles: | ||
| − | ** C1( | + | ** C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O) |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N |
* common name: | * common name: | ||
| − | ** | + | ** (S)-equol |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 242.274 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 4',7-isoflavandiol |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
== 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-15589]] | ||
== External links == | == External links == | ||
| − | {{#set: smiles=C1( | + | * LIGAND-CPD: |
| − | {{#set: inchi key=InChIKey= | + | ** [http://www.genome.jp/dbget-bin/www_bget?C14131 C14131] |
| − | {{#set: common name= | + | * Wikipedia : Equol |
| − | {{#set: molecular weight= | + | * HMDB : HMDB02209 |
| − | {{#set: common name= | + | * CHEBI: |
| − | {{#set: | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=34741 34741] |
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91469 91469] | ||
| + | {{#set: smiles=C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)}} | ||
| + | {{#set: inchi key=InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N}} | ||
| + | {{#set: common name=(S)-equol}} | ||
| + | {{#set: molecular weight=242.274 }} | ||
| + | {{#set: common name=4',7-isoflavandiol}} | ||
| + | {{#set: reversible reaction associated=RXN-15589}} | ||
Revision as of 14:17, 21 March 2018
Contents
Metabolite CPD-14115
- smiles:
- C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)
- inchi key:
- InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N
- common name:
- (S)-equol
- molecular weight:
- 242.274
- Synonym(s):
- 4',7-isoflavandiol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
