Difference between revisions of "CPD-563"
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(Created page with "Category:metabolite == Metabolite CPD0-1718 == * common-name: ** 7,8-dihydropterin * smiles: ** c1(=nc2(=c(nc1)n=c(n)nc(=o)2)) * inchi-key: ** pxzwkvixskscfr-uhfffaoysa-n...") |
(Created page with "Category:metabolite == Metabolite CPD-71 == * common-name: ** (25r)-3α,7α,12α-trihydroxy-5β-cholestanoyl-coa * smiles: ** cc(cccc(c)c(sccnc(=o)ccnc(...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite CPD-71 == |
* common-name: | * common-name: | ||
| − | ** 7, | + | ** (25r)-3α,7α,12α-trihydroxy-5β-cholestanoyl-coa |
* smiles: | * smiles: | ||
| − | ** | + | ** cc(cccc(c)c(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)[ch]4(cc[ch]5(c(c)4c(o)c[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7)))) |
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** mnydliunnocphg-fjwdchqmsa-j |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 1196.145 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN | + | * [[1.17.99.3-RXN]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[1.17.99.3-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name=7, | + | {{#set: common-name=(25r)-3α,7α,12α-trihydroxy-5β-cholestanoyl-coa}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=mnydliunnocphg-fjwdchqmsa-j}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=1196.145}} |
Revision as of 11:15, 15 January 2021
Contents
Metabolite CPD-71
- common-name:
- (25r)-3α,7α,12α-trihydroxy-5β-cholestanoyl-coa
- smiles:
- cc(cccc(c)c(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)[ch]4(cc[ch]5(c(c)4c(o)c[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
- inchi-key:
- mnydliunnocphg-fjwdchqmsa-j
- molecular-weight:
- 1196.145
