Difference between revisions of "BENZOYLCOA"
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(Created page with "Category:metabolite == Metabolite CPD-231 == * common-name: ** 3-hydroxy-3-methyl-2-oxobutanoate * smiles: ** cc(c)(o)c(=o)c(=o)[o-] * inchi-key: ** dnopjxbponyblb-uhfffao...") |
(Created page with "Category:metabolite == Metabolite BENZOYLCOA == * common-name: ** benzoyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c1(=cc=cc=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite BENZOYLCOA == |
* common-name: | * common-name: | ||
| − | ** | + | ** benzoyl-coa |
* smiles: | * smiles: | ||
| − | ** cc(c)(o)c(=o)c(=o)[o-] | + | ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c1(=cc=cc=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-] |
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** vevjtunlalkrno-tyhxjlicsa-j |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 867.61 |
== 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-2006]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=benzoyl-coa}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=vevjtunlalkrno-tyhxjlicsa-j}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=867.61}} |
Latest revision as of 11:14, 18 March 2021
Contents
Metabolite BENZOYLCOA
- common-name:
- benzoyl-coa
- smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c1(=cc=cc=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
- inchi-key:
- vevjtunlalkrno-tyhxjlicsa-j
- molecular-weight:
- 867.61
