Difference between revisions of "4-TOLUENECARBOXYLATE"
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(Created page with "Category:metabolite == Metabolite PARAOXON == * common-name: ** paraoxon * smiles: ** ccop(oc1(c=cc(=cc=1)[n+]([o-])=o))(occ)=o * inchi-key: ** wymsbxtxohuigt-uhfffaoysa-n...") |
(Created page with "Category:metabolite == Metabolite CPD-15362 == * common-name: ** (2e,11z)-icosa-2,11-dienoyl-coa * smiles: ** ccccccccc=ccccccccc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite CPD-15362 == |
* common-name: | * common-name: | ||
| − | ** | + | ** (2e,11z)-icosa-2,11-dienoyl-coa |
* smiles: | * smiles: | ||
| − | ** | + | ** ccccccccc=ccccccccc=cc(=o)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-] |
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** laeceuxzoonxdy-nwgwhigpsa-j |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 1053.99 |
== 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-14485]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=(2e,11z)-icosa-2,11-dienoyl-coa}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=laeceuxzoonxdy-nwgwhigpsa-j}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=1053.99}} |
Revision as of 08:31, 15 March 2021
Contents
Metabolite CPD-15362
- common-name:
- (2e,11z)-icosa-2,11-dienoyl-coa
- smiles:
- ccccccccc=ccccccccc=cc(=o)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-]
- inchi-key:
- laeceuxzoonxdy-nwgwhigpsa-j
- molecular-weight:
- 1053.99
