Difference between revisions of "CPD-709"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-709 CPD-709] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2C...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34)))) | ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34)))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 400.687 | ** 400.687 | ||
| + | * inchi key: | ||
| + | ** InChIKey=DDJMOMHMVFXEQF-JBQSTXLYSA-N | ||
| + | * common name: | ||
| + | ** (5α)-campestan-3-one | ||
* Synonym(s): | * Synonym(s): | ||
** methylcholestanone | ** methylcholestanone | ||
| 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=18533 18533] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16061343 16061343] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16061343 16061343] | ||
* HMDB : HMDB12116 | * HMDB : HMDB12116 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C15786 C15786] | ** [http://www.genome.jp/dbget-bin/www_bget?C15786 C15786] | ||
{{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}} | {{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=400.687 }} | {{#set: molecular weight=400.687 }} | ||
| + | {{#set: inchi key=InChIKey=DDJMOMHMVFXEQF-JBQSTXLYSA-N}} | ||
| + | {{#set: common name=(5α)-campestan-3-one}} | ||
{{#set: common name=methylcholestanone|(24R)-24-methyl-5α-cholestan-3-one|3-dehydro-campestanol}} | {{#set: common name=methylcholestanone|(24R)-24-methyl-5α-cholestan-3-one|3-dehydro-campestanol}} | ||
{{#set: produced by=RXN-711}} | {{#set: produced by=RXN-711}} | ||
Latest revision as of 14:32, 10 January 2019
Contents
Metabolite CPD-709
- smiles:
- CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
- molecular weight:
- 400.687
- inchi key:
- InChIKey=DDJMOMHMVFXEQF-JBQSTXLYSA-N
- common name:
- (5α)-campestan-3-one
- Synonym(s):
- methylcholestanone
- (24R)-24-methyl-5α-cholestan-3-one
- 3-dehydro-campestanol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.
