Difference between revisions of "CPD-14604"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14604 CPD-14604] == * smiles: ** CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC) | ** CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 494.451 | ** 494.451 | ||
| + | * inchi key: | ||
| + | ** InChIKey=BYFGTSAYQQIUCN-HGIHDBQLSA-L | ||
| + | * common name: | ||
| + | ** mycophenolic acid phenolic glucuronide | ||
* Synonym(s): | * Synonym(s): | ||
| Line 19: | Line 19: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657160 90657160] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657160 90657160] | ||
{{#set: smiles=CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC)}} | {{#set: smiles=CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=494.451 }} | {{#set: molecular weight=494.451 }} | ||
| + | {{#set: inchi key=InChIKey=BYFGTSAYQQIUCN-HGIHDBQLSA-L}} | ||
| + | {{#set: common name=mycophenolic acid phenolic glucuronide}} | ||
{{#set: produced by=RXN-13608}} | {{#set: produced by=RXN-13608}} | ||
Latest revision as of 16:12, 10 January 2019
Contents
Metabolite CPD-14604
- smiles:
- CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC)
- molecular weight:
- 494.451
- inchi key:
- InChIKey=BYFGTSAYQQIUCN-HGIHDBQLSA-L
- common name:
- mycophenolic acid phenolic glucuronide
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC)" cannot be used as a page name in this wiki.
