Difference between revisions of "CPD66-28"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-28 CPD66-28] == * smiles: ** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34)))) | ** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34)))) | ||
| + | * molecular weight: | ||
| + | ** 314.467 | ||
* inchi key: | * inchi key: | ||
** InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N | ** InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N | ||
* common name: | * common name: | ||
** pregn-5-ene-3,20-dione | ** pregn-5-ene-3,20-dione | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=63837 63837] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=150901 150901] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=150901 150901] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.546029.html 546029] | ** [http://www.chemspider.com/Chemical-Structure.546029.html 546029] | ||
| − | |||
| − | |||
{{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}} | {{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}} | ||
| + | {{#set: molecular weight=314.467 }} | ||
{{#set: inchi key=InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N}} | {{#set: inchi key=InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N}} | ||
{{#set: common name=pregn-5-ene-3,20-dione}} | {{#set: common name=pregn-5-ene-3,20-dione}} | ||
| − | |||
{{#set: produced by=RXN66-353}} | {{#set: produced by=RXN66-353}} | ||
Latest revision as of 16:53, 9 January 2019
Contents
Metabolite CPD66-28
- smiles:
- CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
- molecular weight:
- 314.467
- inchi key:
- InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N
- common name:
- pregn-5-ene-3,20-dione
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.
