Difference between revisions of "CPD-17275"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17275 CPD-17275] == * smiles: ** CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CCC(C)...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-] | ** CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 389.554 | ** 389.554 | ||
| + | * inchi key: | ||
| + | ** InChIKey=DXOCDBGWDZAYRQ-AURDAFMXSA-M | ||
| + | * common name: | ||
| + | ** 7-oxolithocholate | ||
* Synonym(s): | * Synonym(s): | ||
** 7-ketolithocholate | ** 7-ketolithocholate | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78605 78605] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20848976 20848976] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20848976 20848976] | ||
| + | * HMDB : HMDB00467 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.17215957.html 17215957] | ** [http://www.chemspider.com/Chemical-Structure.17215957.html 17215957] | ||
| − | |||
| − | |||
| − | |||
{{#set: smiles=CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CCC(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]2CCC(C)34)))))CCC(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=389.554 }} | {{#set: molecular weight=389.554 }} | ||
| + | {{#set: inchi key=InChIKey=DXOCDBGWDZAYRQ-AURDAFMXSA-M}} | ||
| + | {{#set: common name=7-oxolithocholate}} | ||
{{#set: common name=7-ketolithocholate|3α-hydroxy-7-oxo-5β-cholan-24-oate|7-oxo-3α-hydroxy-5β-cholan-24-oate}} | {{#set: common name=7-ketolithocholate|3α-hydroxy-7-oxo-5β-cholan-24-oate|7-oxo-3α-hydroxy-5β-cholan-24-oate}} | ||
{{#set: produced by=RXN-16033}} | {{#set: produced by=RXN-16033}} | ||
Latest revision as of 14:11, 10 January 2019
Contents
Metabolite CPD-17275
- smiles:
- CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]
- molecular weight:
- 389.554
- inchi key:
- InChIKey=DXOCDBGWDZAYRQ-AURDAFMXSA-M
- common name:
- 7-oxolithocholate
- Synonym(s):
- 7-ketolithocholate
- 3α-hydroxy-7-oxo-5β-cholan-24-oate
- 7-oxo-3α-hydroxy-5β-cholan-24-oate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-" cannot be used as a page name in this wiki.
