Difference between revisions of "RXN-11479"
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(Created page with "Category:metabolite == Metabolite OXIDIZED-GLUTATHIONE == * common-name: ** glutathione disulfide * inchi-key: ** ypzrwbkmtbyptk-bjdjzhngsa-l * molecular-weight: ** 610.61...") |
(Created page with "Category:metabolite == Metabolite CPD-12230 == * common-name: ** a peptidoglycan with d,d cross-link (s. aureus) * inchi-key: ** rnudguzvldavga-hfxdownisa-j * molecular-we...") |
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Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
− | == Metabolite | + | == Metabolite CPD-12230 == |
* common-name: | * common-name: | ||
− | ** | + | ** a peptidoglycan with d,d cross-link (s. aureus) |
* inchi-key: | * inchi-key: | ||
− | ** | + | ** rnudguzvldavga-hfxdownisa-j |
* molecular-weight: | * molecular-weight: | ||
− | ** | + | ** 6694.429 |
* smiles: | * smiles: | ||
− | ** c( | + | ** cc(c)=cccc(/c)=c/ccc(/c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/cop([o-])(=o)op([o-])(=o)o[c@h]8([c@h](nc(=o)c)[c@@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)c(=o)n)[c@h](o[c@h]7(o[c@h](co)[c@@h](o[c@h]6([c@h](nc(=o)c)[c@@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(ncc(=o)ncc(ncc(=o)ncc(ncc(=o)ncccc[c@@h](c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)nc(=o)cc[c@@h](nc(=o)[c@@h](nc(=o)[c@@h](c)o[c@@h]4([c@h](o[c@h]1(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(=o)c)1))[c@@h](co)o[c@h](o[c@@h]3([c@h](o)[c@@h](nc(=o)c)[c@h](o[c@@h]2([c@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)c(=o)n)[c@@h](nc(=o)c)[c@h](o[c@h](co)2)op([o-])(=o)op([o-])(=o)occ=c(ccc=c(ccc=c(ccc=c(ccc=c(c)ccc=c(ccc=c(ccc=c(ccc=c(c)ccc=c(c)ccc=c(c)c)c)c)c)c)c)c)c))o[c@h](co)3))[c@h](nc(=o)c)4))c)c(=o)n)=o)=o)=o)=o)c(=o)n)[c@h](o[c@h]5(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(=o)c)5))[c@@h](co)o6))[c@h](o)[c@@h](nc(=o)c)7))[c@@h](co)o8) |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
− | |||
− | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
− | + | * [[RXN-11065]] | |
− | |||
− | * [[RXN- | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
− | {{#set: common-name= | + | {{#set: common-name=a peptidoglycan with d,d cross-link (s. aureus)}} |
− | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=rnudguzvldavga-hfxdownisa-j}} |
− | {{#set: molecular-weight= | + | {{#set: molecular-weight=6694.429}} |
Revision as of 11:55, 15 January 2021
Contents
Metabolite CPD-12230
- common-name:
- a peptidoglycan with d,d cross-link (s. aureus)
- inchi-key:
- rnudguzvldavga-hfxdownisa-j
- molecular-weight:
- 6694.429
- smiles:
- cc(c)=cccc(/c)=c/ccc(/c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/cop([o-])(=o)op([o-])(=o)o[c@h]8([c@h](nc(=o)c)[c@@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)c(=o)n)[c@h](o[c@h]7(o[c@h](co)[c@@h](o[c@h]6([c@h](nc(=o)c)[c@@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(ncc(=o)ncc(ncc(=o)ncc(ncc(=o)ncccc[c@@h](c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)nc(=o)cc[c@@h](nc(=o)[c@@h](nc(=o)[c@@h](c)o[c@@h]4([c@h](o[c@h]1(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(=o)c)1))[c@@h](co)o[c@h](o[c@@h]3([c@h](o)[c@@h](nc(=o)c)[c@h](o[c@@h]2([c@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)c(=o)n)[c@@h](nc(=o)c)[c@h](o[c@h](co)2)op([o-])(=o)op([o-])(=o)occ=c(ccc=c(ccc=c(ccc=c(ccc=c(c)ccc=c(ccc=c(ccc=c(ccc=c(c)ccc=c(c)ccc=c(c)c)c)c)c)c)c)c)c))o[c@h](co)3))[c@h](nc(=o)c)4))c)c(=o)n)=o)=o)=o)=o)c(=o)n)[c@h](o[c@h]5(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(=o)c)5))[c@@h](co)o6))[c@h](o)[c@@h](nc(=o)c)7))[c@@h](co)o8)