Difference between revisions of "CPD66-21"
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(Created page with "Category:metabolite == Metabolite CPD-7417 == * common-name: ** cis-coumarinic acid-β-d-glucoside * smiles: ** c(c2(oc(oc1(c=cc=cc=1c=cc(=o)[o-]))c(c(c2o)o)o))o * inc...") |
(Created page with "Category:metabolite == Metabolite E-PHENYLITACONYL-COA == * common-name: ** (e)-2-benzylidenesuccinyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(cc(=o)[o-])=cc1(c=...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite E-PHENYLITACONYL-COA == |
* common-name: | * common-name: | ||
| − | ** | + | ** (e)-2-benzylidenesuccinyl-coa |
* smiles: | * smiles: | ||
| − | ** c( | + | ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(cc(=o)[o-])=cc1(c=cc=cc=1))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: | ||
| − | ** | + | ** cizckpngzpendv-umuuvtgisa-i |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 950.677 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[RXN-902]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=(e)-2-benzylidenesuccinyl-coa}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=cizckpngzpendv-umuuvtgisa-i}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=950.677}} |
Revision as of 11:17, 15 January 2021
Contents
Metabolite E-PHENYLITACONYL-COA
- common-name:
- (e)-2-benzylidenesuccinyl-coa
- smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(cc(=o)[o-])=cc1(c=cc=cc=1))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:
- cizckpngzpendv-umuuvtgisa-i
- molecular-weight:
- 950.677
