Difference between revisions of "2-KETO-3-METHYL-VALERATE"

Latest revision as of 11:13, 18 March 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15568 ==
+== Metabolite 2-KETO-3-METHYL-VALERATE ==
 * common-name:
-** 2e)-tetradec-2-enoyl-coa
+** (s)-3-methyl-2-oxopentanoate
 * smiles:
-** cccccccccccc=cc(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-])=o
+** ccc(c)c(=o)c([o-])=o
 * inchi-key:
-** mbcvycokmmmwlx-yymfejjqsa-j
+** jvqyswduaoahfm-bypyzucnsa-m
 * molecular-weight:
-** 971.845
+** 129.135
 == Reaction(s) known to consume the compound ==
-* [[ECOAH6h]]
+* [[2KETO-3METHYLVALERATE-RXN]]
-* [[RXN-14273]]
+* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
+* [[METHYLVALERATE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[ACOA140OR]]
+* [[2KETO-3METHYLVALERATE-RXN]]
-* [[ECOAH6h]]
+* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
+* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
+* [[METHYLVALERATE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2e)-tetradec-2-enoyl-coa}}
+{{#set: common-name=(s)-3-methyl-2-oxopentanoate}}
-{{#set: inchi-key=inchikey=mbcvycokmmmwlx-yymfejjqsa-j}}
+{{#set: inchi-key=inchikey=jvqyswduaoahfm-bypyzucnsa-m}}
-{{#set: molecular-weight=971.845}}
+{{#set: molecular-weight=129.135}}