Difference between revisions of "BUTANOL"

Revision as of 15:26, 5 January 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 2-ACETO-2-HYDROXY-BUTYRATE ==
+== Metabolite CPD-12173 ==
 * common-name:
-** (s)-2-aceto-2-hydroxybutanoate
+** (s)-3-hydroxy-isobutanoyl-coa
 * smiles:
-** ccc(o)(c(=o)[o-])c(c)=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
 * inchi-key:
-** vuqlhqfkacohnz-lurjtmiesa-m
+** wweogfzefhpuam-uqcjfraesa-j
 * molecular-weight:
-** 145.135
+** 849.593
 == Reaction(s) known to consume the compound ==
-* [[ACETOOHBUTREDUCTOISOM-RXN]]
+* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
-* [[RXN-14106]]
+* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-14106]]
+* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(s)-2-aceto-2-hydroxybutanoate}}
+{{#set: common-name=(s)-3-hydroxy-isobutanoyl-coa}}
-{{#set: inchi-key=inchikey=vuqlhqfkacohnz-lurjtmiesa-m}}
+{{#set: inchi-key=inchikey=wweogfzefhpuam-uqcjfraesa-j}}
-{{#set: molecular-weight=145.135}}
+{{#set: molecular-weight=849.593}}