Difference between revisions of "CPD-9460"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9460 CPD-9460] == * smiles: ** CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C | ** CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 630.817 | ** 630.817 | ||
| + | * inchi key: | ||
| + | ** InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L | ||
| + | * common name: | ||
| + | ** oleanolate 3 β-D-glucuronoside | ||
* Synonym(s): | * Synonym(s): | ||
** oleanolic acid 3 β-D-glucuronoside | ** oleanolic acid 3 β-D-glucuronoside | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=37658 37658] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659092 90659092] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659092 90659092] | ||
* HMDB : HMDB40851 | * HMDB : HMDB40851 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C08964 C08964] | ** [http://www.genome.jp/dbget-bin/www_bget?C08964 C08964] | ||
{{#set: smiles=CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C}} | {{#set: smiles=CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C}} | ||
| − | |||
| − | |||
{{#set: molecular weight=630.817 }} | {{#set: molecular weight=630.817 }} | ||
| + | {{#set: inchi key=InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L}} | ||
| + | {{#set: common name=oleanolate 3 β-D-glucuronoside}} | ||
{{#set: common name=oleanolic acid 3 β-D-glucuronoside|oleanoic acid 3-O-glucuronide|monoglucuronide F|oleanolic acid 3-O-glucuronide|oleanolic acid 3-O-monoglucuronide}} | {{#set: common name=oleanolic acid 3 β-D-glucuronoside|oleanoic acid 3-O-glucuronide|monoglucuronide F|oleanolic acid 3-O-glucuronide|oleanolic acid 3-O-monoglucuronide}} | ||
{{#set: produced by=RXN-9000}} | {{#set: produced by=RXN-9000}} | ||
Latest revision as of 14:59, 10 January 2019
Contents
Metabolite CPD-9460
- smiles:
- CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C
- molecular weight:
- 630.817
- inchi key:
- InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L
- common name:
- oleanolate 3 β-D-glucuronoside
- Synonym(s):
- oleanolic acid 3 β-D-glucuronoside
- oleanoic acid 3-O-glucuronide
- monoglucuronide F
- oleanolic acid 3-O-glucuronide
- oleanolic acid 3-O-monoglucuronide
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C" cannot be used as a page name in this wiki.
