Difference between revisions of "CPD-14602"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14602 CPD-14602] == * smiles: ** CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3...") |
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* smiles: | * smiles: | ||
** CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC) | ** CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 495.459 | ** 495.459 | ||
| + | * inchi key: | ||
| + | ** InChIKey=QBMSTEZXAMABFF-UEARNRKISA-M | ||
| + | * common name: | ||
| + | ** mycophenolic acid O-acyl-glucuronide | ||
* Synonym(s): | * Synonym(s): | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=66982 66982] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=66982 66982] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70678773 70678773] | ||
{{#set: smiles=CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC)}} | {{#set: smiles=CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=495.459 }} | {{#set: molecular weight=495.459 }} | ||
| + | {{#set: inchi key=InChIKey=QBMSTEZXAMABFF-UEARNRKISA-M}} | ||
| + | {{#set: common name=mycophenolic acid O-acyl-glucuronide}} | ||
{{#set: consumed by=RXN-13605}} | {{#set: consumed by=RXN-13605}} | ||
{{#set: produced by=RXN-13607}} | {{#set: produced by=RXN-13607}} | ||
Latest revision as of 13:41, 10 January 2019
Contents
Metabolite CPD-14602
- smiles:
- CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC)
- molecular weight:
- 495.459
- inchi key:
- InChIKey=QBMSTEZXAMABFF-UEARNRKISA-M
- common name:
- mycophenolic acid O-acyl-glucuronide
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC)" cannot be used as a page name in this wiki.
