Difference between revisions of "CHOLANATE2"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLANATE2 CHOLANATE2] == * smiles: ** CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O...") |
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* smiles: | * smiles: | ||
** CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-] | ** CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 405.553 | ** 405.553 | ||
| + | * inchi key: | ||
| + | ** InChIKey=RHCPKKNRWFXMAT-RRWYKFPJSA-M | ||
| + | * common name: | ||
| + | ** 3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate | ||
* Synonym(s): | * Synonym(s): | ||
** 3α,12α-dihydroxy-7-oxo-5β-cholanate | ** 3α,12α-dihydroxy-7-oxo-5β-cholanate | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7827713.html 7827713] | ** [http://www.chemspider.com/Chemical-Structure.7827713.html 7827713] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11893 11893] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11893 11893] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9548790 9548790] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C04643 C04643] | ** [http://www.genome.jp/dbget-bin/www_bget?C04643 C04643] | ||
| + | * GO-TERMS : (REFMET "7-Ketodeoxycholic acid" NIL midford 3701443689 NIL NIL) | ||
{{#set: smiles=CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-]}} | {{#set: smiles=CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=405.553 }} | {{#set: molecular weight=405.553 }} | ||
| + | {{#set: inchi key=InChIKey=RHCPKKNRWFXMAT-RRWYKFPJSA-M}} | ||
| + | {{#set: common name=3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate}} | ||
{{#set: common name=3α,12α-dihydroxy-7-oxo-5β-cholanate}} | {{#set: common name=3α,12α-dihydroxy-7-oxo-5β-cholanate}} | ||
{{#set: produced by=7-ALPHA-HYDROXYSTEROID-DEH-RXN}} | {{#set: produced by=7-ALPHA-HYDROXYSTEROID-DEH-RXN}} | ||
Latest revision as of 16:18, 10 January 2019
Contents
Metabolite CHOLANATE2
- smiles:
- CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-]
- molecular weight:
- 405.553
- inchi key:
- InChIKey=RHCPKKNRWFXMAT-RRWYKFPJSA-M
- common name:
- 3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate
- Synonym(s):
- 3α,12α-dihydroxy-7-oxo-5β-cholanate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
- LIGAND-CPD:
- GO-TERMS : (REFMET "7-Ketodeoxycholic acid" NIL midford 3701443689 NIL NIL)
"CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-" cannot be used as a page name in this wiki.
