Difference between revisions of "2-3-DIHYDROXYBENZOATE"

Revision as of 08:25, 15 March 2021

common-name:
- (s)-3-hydroxy-isobutanoyl-coa
smiles:
- cc(c(=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-])co
inchi-key:
- wweogfzefhpuam-uqcjfraesa-j
molecular-weight:
- 849.593

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11497 ==
+== Metabolite CPD-12173 ==
 * common-name:
-** 3-methoxy-4-hydroxyphenylglycol
+** (s)-3-hydroxy-isobutanoyl-coa
 * smiles:
-** coc1(=c(o)c=cc(c(o)co)=c1)
+** cc(c(=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-])co
 * inchi-key:
-** fbwpwwwzwkpjfl-qmmmgpobsa-n
+** wweogfzefhpuam-uqcjfraesa-j
 * molecular-weight:
-** 184.191
+** 849.593
 == Reaction(s) known to consume the compound ==
-* [[RXN-10915]]
+* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
+* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10915]]
+* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-methoxy-4-hydroxyphenylglycol}}
+{{#set: common-name=(s)-3-hydroxy-isobutanoyl-coa}}
-{{#set: inchi-key=inchikey=fbwpwwwzwkpjfl-qmmmgpobsa-n}}
+{{#set: inchi-key=inchikey=wweogfzefhpuam-uqcjfraesa-j}}
-{{#set: molecular-weight=184.191}}
+{{#set: molecular-weight=849.593}}