Difference between revisions of "2-METHYL-3-HYDROXY-BUTYRYL-COA"

Latest revision as of 11:17, 18 March 2021

common-name:
- (2s,3s)-3-hydroxy-2-methylbutanoyl-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-])c(c)o
inchi-key:
- pekyntfsobaabv-lqudnsjzsa-j
molecular-weight:
- 863.619

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-294 ==
+== Metabolite 2-METHYL-3-HYDROXY-BUTYRYL-COA ==
 * common-name:
-** 2-maleylacetate
+** (2s,3s)-3-hydroxy-2-methylbutanoyl-coa
 * smiles:
-** c(=cc(=o)[o-])c(=o)cc([o-])=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-])c(c)o
 * inchi-key:
-** soxxpqlizipmiz-uphrsurjsa-l
+** pekyntfsobaabv-lqudnsjzsa-j
 * molecular-weight:
-** 156.095
+** 863.619
 == Reaction(s) known to consume the compound ==
+* [[1.1.1.178-RXN]]
+* [[HMNOS]]
+* [[TIGLYLCOA-HYDROXY-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[CARBOXYMETHYLENEBUTENOLIDASE-RXN]]
+* [[1.1.1.178-RXN]]
-* [[RXN-9733]]
+* [[ECH_LPAREN_3hmbcoa_RPAREN_]]
-* [[RXN-9868]]
+* [[HMNOS]]
+* [[TIGLYLCOA-HYDROXY-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-maleylacetate}}
+{{#set: common-name=(2s,3s)-3-hydroxy-2-methylbutanoyl-coa}}
-{{#set: inchi-key=inchikey=soxxpqlizipmiz-uphrsurjsa-l}}
+{{#set: inchi-key=inchikey=pekyntfsobaabv-lqudnsjzsa-j}}
-{{#set: molecular-weight=156.095}}
+{{#set: molecular-weight=863.619}}