Difference between revisions of "CPD-18761"
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(Created page with "Category:metabolite == Metabolite 2-ACETO-2-HYDROXY-BUTYRATE == * common-name: ** (s)-2-aceto-2-hydroxybutanoate * smiles: ** ccc(o)(c(=o)[o-])c(c)=o * inchi-key: ** vuqlh...") |
(Created page with "Category:metabolite == Metabolite CPD-12199 == * common-name: ** 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)...") |
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Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
− | == Metabolite | + | == Metabolite CPD-12199 == |
* common-name: | * common-name: | ||
− | ** ( | + | ** 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa |
* smiles: | * smiles: | ||
− | ** | + | ** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)c=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: | ||
− | ** | + | ** vddfxumtxcqmfm-ugdqnksbsa-j |
* molecular-weight: | * molecular-weight: | ||
− | ** | + | ** 927.663 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
− | + | * [[RXN-11245]] | |
− | * [[RXN- | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
− | * [[RXN- | + | * [[RXN-11244]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
− | {{#set: common-name=( | + | {{#set: common-name=3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa}} |
− | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=vddfxumtxcqmfm-ugdqnksbsa-j}} |
− | {{#set: molecular-weight= | + | {{#set: molecular-weight=927.663}} |
Revision as of 14:54, 5 January 2021
Contents
Metabolite CPD-12199
- common-name:
- 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa
- smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)c=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:
- vddfxumtxcqmfm-ugdqnksbsa-j
- molecular-weight:
- 927.663