Difference between revisions of "CPD-1107"

Revision as of 14:56, 5 January 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8347 ==
+== Metabolite 2-KETO-3-METHYL-VALERATE ==
 * common-name:
-** 1-18:2-2-lysophosphatidylcholine
+** (s)-3-methyl-2-oxopentanoate
 * smiles:
-** cccccc=ccc=ccccccccc(occ(o)cop([o-])(=o)occ[n+](c)(c)c)=o
+** ccc(c)c(=o)c([o-])=o
 * inchi-key:
-** spjfyyjxnpezdw-ftjopakqsa-n
+** jvqyswduaoahfm-bypyzucnsa-m
 * molecular-weight:
-** 519.657
+** 129.135
 == Reaction(s) known to consume the compound ==
+* [[2KETO-3METHYLVALERATE-RXN]]
+* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
+* [[METHYLVALERATE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12430]]
+* [[2KETO-3METHYLVALERATE-RXN]]
+* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
+* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
+* [[METHYLVALERATE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1-18:2-2-lysophosphatidylcholine}}
+{{#set: common-name=(s)-3-methyl-2-oxopentanoate}}
-{{#set: inchi-key=inchikey=spjfyyjxnpezdw-ftjopakqsa-n}}
+{{#set: inchi-key=inchikey=jvqyswduaoahfm-bypyzucnsa-m}}
-{{#set: molecular-weight=519.657}}
+{{#set: molecular-weight=129.135}}