Difference between revisions of "CPD-8550"
Jump to navigation
Jump to search
(Created page with "Category:metabolite == Metabolite ACETOACETYL-COA == * common-name: ** acetoacetyl-coa * smiles: ** cc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(...") |
(Created page with "Category:metabolite == Metabolite CPD-23708 == * common-name: ** (3β,9β)-4α-demethyl-4α-carboxy-9,19-cyclolanost-24-en-3-ol * inchi-key: ** ghmalmmxv...") |
||
| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite CPD-23708 == |
* common-name: | * common-name: | ||
| − | ** | + | ** (3β,9β)-4α-demethyl-4α-carboxy-9,19-cyclolanost-24-en-3-ol |
| − | |||
| − | |||
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** ghmalmmxvubofv-twoguosysa-m |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 455.699 |
| + | * smiles: | ||
| + | ** cc(c)=ccc[c@@h](c)[c@h]3(cc[c@@]4(c)([c@@h]1(cc[c@h]5([c@@](c([o-])=o)(c)[c@@h](o)cc[c@@]2(c[c@@]12cc[c@](c)34)5)))) | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | + | * [[RXN-21830]] | |
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | * [[RXN- | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | + | * [[RXN-21829]] | |
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | * [[RXN- | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=(3β,9β)-4α-demethyl-4α-carboxy-9,19-cyclolanost-24-en-3-ol}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=ghmalmmxvubofv-twoguosysa-m}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=455.699}} |
Revision as of 08:31, 15 March 2021
Contents
Metabolite CPD-23708
- common-name:
- (3β,9β)-4α-demethyl-4α-carboxy-9,19-cyclolanost-24-en-3-ol
- inchi-key:
- ghmalmmxvubofv-twoguosysa-m
- molecular-weight:
- 455.699
- smiles:
- cc(c)=ccc[c@@h](c)[c@h]3(cc[c@@]4(c)([c@@h]1(cc[c@h]5([c@@](c([o-])=o)(c)[c@@h](o)cc[c@@]2(c[c@@]12cc[c@](c)34)5))))
