Difference between revisions of "RXN-12090"
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(Created page with "=Workflow command history= ==Command sequence== ==Downloads== You can download the command log file here") |
(Created page with "Category:metabolite == Metabolite CPD-4702 == * common-name: ** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol * inchi-key: ** jhiwifrqjxlneu-gsqagghasa-m * molec...") |
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| − | = | + | [[Category:metabolite]] |
| − | + | == Metabolite CPD-4702 == | |
| − | == | + | * common-name: |
| − | == | + | ** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol |
| − | + | * inchi-key: | |
| + | ** jhiwifrqjxlneu-gsqagghasa-m | ||
| + | * molecular-weight: | ||
| + | ** 427.646 | ||
| + | * smiles: | ||
| + | ** cc(c)=ccc[c@@h](c)[c@h]2(cc[c@h]3(c4(\cc[c@h]1([c@h](c([o-])=o)[c@@h](o)cc[c@@](c)1c(\cc[c@](c)23)=4)))) | ||
| + | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN66-318]] | ||
| + | == Reaction(s) known to produce the compound == | ||
| + | * [[RXN-13709]] | ||
| + | == Reaction(s) of unknown directionality == | ||
| + | {{#set: common-name=4α-carboxy-5α-cholesta-8,24-dien-3β-ol}} | ||
| + | {{#set: inchi-key=inchikey=jhiwifrqjxlneu-gsqagghasa-m}} | ||
| + | {{#set: molecular-weight=427.646}} | ||
Revision as of 15:14, 15 March 2021
Contents
Metabolite CPD-4702
- common-name:
- 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
- inchi-key:
- jhiwifrqjxlneu-gsqagghasa-m
- molecular-weight:
- 427.646
- smiles:
- cc(c)=ccc[c@@h](c)[c@h]2(cc[c@h]3(c4(\cc[c@h]1([c@h](c([o-])=o)[c@@h](o)cc[c@@](c)1c(\cc[c@](c)23)=4))))
