Difference between revisions of "SJ14767"
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(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBON-DIOXIDE CARBON-DIOXIDE] == * common-name: ** co2 * smiles: ** c(=o)=o * inchi-key: ** cu...") |
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] == * common-name: ** 4-(2'-carboxyphenyl)-4-oxobutyryl-coa * smiles: ** cc(c...") |
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[[Category:metabolite]] | [[Category:metabolite]] | ||
− | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] == |
* common-name: | * common-name: | ||
− | ** | + | ** 4-(2'-carboxyphenyl)-4-oxobutyryl-coa |
* smiles: | * smiles: | ||
− | ** c(=o)=o | + | ** cc(cop([o-])(=o)op([o-])(=o)occ3(c(c(c(n2(c=nc1(c(=nc=nc=12)n)))o3)o)op([o-])(=o)[o-]))(c)c(c(nccc(nccsc(ccc(c4(c=cc=cc(c([o-])=o)=4))=o)=o)=o)=o)o |
* inchi-key: | * inchi-key: | ||
− | ** | + | ** kvaqapqxoxtrae-uhfffaoysa-i |
* molecular-weight: | * molecular-weight: | ||
− | ** | + | ** 966.676 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
− | + | * [[NAPHTHOATE-SYN-RXN]] | |
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== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
− | + | * [[NPHS]] | |
− | + | * [[O-SUCCINYLBENZOATE-COA-LIG-RXN]] | |
− | + | * [[RXN-7614]] | |
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− | * [[RXN- | ||
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== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
− | {{#set: common-name= | + | {{#set: common-name=4-(2'-carboxyphenyl)-4-oxobutyryl-coa}} |
− | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=kvaqapqxoxtrae-uhfffaoysa-i}} |
− | {{#set: molecular-weight= | + | {{#set: molecular-weight=966.676}} |
Revision as of 09:24, 27 August 2019
Contents
Metabolite CPD-6972
- common-name:
- 4-(2'-carboxyphenyl)-4-oxobutyryl-coa
- smiles:
- cc(cop([o-])(=o)op([o-])(=o)occ3(c(c(c(n2(c=nc1(c(=nc=nc=12)n)))o3)o)op([o-])(=o)[o-]))(c)c(c(nccc(nccsc(ccc(c4(c=cc=cc(c([o-])=o)=4))=o)=o)=o)=o)o
- inchi-key:
- kvaqapqxoxtrae-uhfffaoysa-i
- molecular-weight:
- 966.676