Difference between revisions of "ALLO-THR"
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(Created page with "Category:metabolite == Metabolite CIS-ACONITATE == * smiles: ** c([o-])(=o)c(=cc(=o)[o-])cc(=o)[o-] * common-name: ** cis-aconitate * inchi-key: ** gtzcvfvgugfeme-iwqzzhsr...") |
(Created page with "Category:metabolite == Metabolite CPD-11528 == * smiles: ** ccc=ccc4(c(=o)ccc(cc(=o)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...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite CPD-11528 == |
* smiles: | * smiles: | ||
| − | ** c( | + | ** ccc=ccc4(c(=o)ccc(cc(=o)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-])4) |
* common-name: | * common-name: | ||
| − | ** | + | ** opc4-3-ketoacyl-coa |
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** qgjlcxxjefrwhp-bumuvwnnsa-j |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 997.797 |
== 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-10703]] |
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=opc4-3-ketoacyl-coa}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=qgjlcxxjefrwhp-bumuvwnnsa-j}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=997.797}} |
Revision as of 09:19, 14 January 2021
Contents
Metabolite CPD-11528
- smiles:
- ccc=ccc4(c(=o)ccc(cc(=o)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-])4)
- common-name:
- opc4-3-ketoacyl-coa
- inchi-key:
- qgjlcxxjefrwhp-bumuvwnnsa-j
- molecular-weight:
- 997.797
