Difference between revisions of "CPD-12173"

Latest revision as of 19:33, 17 March 2021

common-name:
- (s)-3-hydroxy-isobutanoyl-coa
molecular-weight:
- 849.593
inchi-key:
- wweogfzefhpuam-uqcjfraesa-j
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

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13174 ==
+== Metabolite CPD-12173 ==
 * common-name:
-** salicyl-6-hydroxy-2-cyclohexene-on-oyl
+** (s)-3-hydroxy-isobutanoyl-coa
 * molecular-weight:
-** 262.262
+** 849.593
 * inchi-key:
-** wyymyyoxcoemcu-uhfffaoysa-n
+** wweogfzefhpuam-uqcjfraesa-j
 * smiles:
-** c(c1(o)(c(=o)ccc=c1))(occ2(c(o)=cc=cc=2))=o
+** 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
 == Reaction(s) known to consume the compound ==
-* [[RXN-12252]]
+* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
+* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 == Reaction(s) known to produce the compound ==
+* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=salicyl-6-hydroxy-2-cyclohexene-on-oyl}}
+{{#set: common-name=(s)-3-hydroxy-isobutanoyl-coa}}
-{{#set: molecular-weight=262.262}}
+{{#set: molecular-weight=849.593}}
-{{#set: inchi-key=inchikey=wyymyyoxcoemcu-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=wweogfzefhpuam-uqcjfraesa-j}}