Difference between revisions of "CPD-17313"

Latest revision as of 11:13, 18 March 2021

common-name:
- sapienoyl-coa
smiles:
- cccccccccc=cccccc(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
inchi-key:
- pvzuhjmomjkuef-hatlacbzsa-j
molecular-weight:
- 999.899

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 2-KETO-3-METHYL-VALERATE ==
+== Metabolite CPD-17313 ==
 * common-name:
-** (s)-3-methyl-2-oxopentanoate
+** sapienoyl-coa
 * smiles:
-** ccc(c)c(=o)c([o-])=o
+** cccccccccc=cccccc(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
 * inchi-key:
-** jvqyswduaoahfm-bypyzucnsa-m
+** pvzuhjmomjkuef-hatlacbzsa-j
 * molecular-weight:
-** 129.135
+** 999.899
 == Reaction(s) known to consume the compound ==
-* [[2KETO-3METHYLVALERATE-RXN]]
-* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
-* [[METHYLVALERATE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[2KETO-3METHYLVALERATE-RXN]]
+* [[RXN-16065]]
-* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
-* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
-* [[METHYLVALERATE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(s)-3-methyl-2-oxopentanoate}}
+{{#set: common-name=sapienoyl-coa}}
-{{#set: inchi-key=inchikey=jvqyswduaoahfm-bypyzucnsa-m}}
+{{#set: inchi-key=inchikey=pvzuhjmomjkuef-hatlacbzsa-j}}
-{{#set: molecular-weight=129.135}}
+{{#set: molecular-weight=999.899}}