Difference between revisions of "2K-4CH3-PENTANOATE"

Latest revision as of 11:12, 17 October 2022

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15435 ==
+== Metabolite 2K-4CH3-PENTANOATE ==
 * common-name:
-** (l-threonylcarbamoyl)adenylate
+** 4-methyl-2-oxopentanoate
 * inchi-key:
-** ghlupquheijrcu-dwvddhqfsa-l
+** bkajnaxtpsgjcu-uhfffaoysa-m
 * molecular-weight:
-** 490.322
+** 129.135
 * smiles:
-** c[c@@h](o)[c@@h](c([o-])=o)nc(=o)op(oc[c@h]3([c@h]([c@h]([c@h](n1(c2(n=cn=c(c(n=c1)=2)n)))o3)o)o))([o-])=o
+** cc(c)cc(c([o-])=o)=o
 == Reaction(s) known to consume the compound ==
-* [[RXN-14569]]
+* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
-* [[RXN-14570]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-14569]]
+* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
+* [[RXN-13158]]
+* [[RXN-7800]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(l-threonylcarbamoyl)adenylate}}
+{{#set: common-name=4-methyl-2-oxopentanoate}}
-{{#set: inchi-key=inchikey=ghlupquheijrcu-dwvddhqfsa-l}}
+{{#set: inchi-key=inchikey=bkajnaxtpsgjcu-uhfffaoysa-m}}
-{{#set: molecular-weight=490.322}}
+{{#set: molecular-weight=129.135}}