Difference between revisions of "RXN-10767"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19487 CPD-19487] == * smiles: ** CSCCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] * inchi key: ** InChIK...") |
(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 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-9460 CPD-9460] == |
* 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 |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L |
* common name: | * common name: | ||
| − | ** 3- | + | ** oleanolate 3 β-D-glucuronoside |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 630.817 |
* Synonym(s): | * 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 consume the compound == | ||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[RXN-9000]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
== External links == | == External links == | ||
| − | {{#set: smiles= | + | * PUBCHEM: |
| − | {{#set: inchi key=InChIKey= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659092 90659092] |
| − | {{#set: common name=3- | + | * CHEBI: |
| − | {{#set: molecular weight= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=37658 37658] |
| − | {{#set: | + | * LIGAND-CPD: |
| − | {{#set: | + | ** [http://www.genome.jp/dbget-bin/www_bget?C08964 C08964] |
| + | * HMDB : HMDB40851 | ||
| + | {{#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: inchi key=InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L}} | ||
| + | {{#set: common name=oleanolate 3 β-D-glucuronoside}} | ||
| + | {{#set: molecular weight=630.817 }} | ||
| + | {{#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}} | ||
Revision as of 18:57, 18 March 2018
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
- inchi key:
- InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L
- common name:
- oleanolate 3 β-D-glucuronoside
- molecular weight:
- 630.817
- 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.
