Difference between revisions of "CPD-19160"

Latest revision as of 11:18, 18 March 2021

common-name:
- 3-oxo-(11z)-octadecenoyl-coa
smiles:
- ccccccc=ccccccccc(=o)cc(=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-]
inchi-key:
- ourowzutgfhrje-saiinbspsa-j
molecular-weight:
- 1041.936

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 2-METHYL-BUTYRYL-COA ==
+== Metabolite CPD-19160 ==
 * common-name:
-** 2-methylbutanoyl-coa
+** 3-oxo-(11z)-octadecenoyl-coa
 * smiles:
-** ccc(c)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-]
+** ccccccc=ccccccccc(=o)cc(=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-]
 * inchi-key:
-** lynvnydeqmmnmz-xgxnyeovsa-j
+** ourowzutgfhrje-saiinbspsa-j
 * molecular-weight:
-** 847.62
+** 1041.936
 == Reaction(s) known to consume the compound ==
-* [[2-MEBUCOA-FAD-RXN]]
+* [[RXN-17787]]
-* [[2KETO-3METHYLVALERATE-RXN]]
-* [[MBCOA-DHLIPOAMIDE-RXN]]
-* [[MCDH_LPAREN_2mb2coa_RPAREN_]]
 == Reaction(s) known to produce the compound ==
-* [[2-MEBUCOA-FAD-RXN]]
+* [[RXN-17786]]
-* [[2KETO-3METHYLVALERATE-RXN]]
-* [[DHRT_LPAREN_2mbcoa_RPAREN_]]
-* [[MBCOA-DHLIPOAMIDE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-methylbutanoyl-coa}}
+{{#set: common-name=3-oxo-(11z)-octadecenoyl-coa}}
-{{#set: inchi-key=inchikey=lynvnydeqmmnmz-xgxnyeovsa-j}}
+{{#set: inchi-key=inchikey=ourowzutgfhrje-saiinbspsa-j}}
-{{#set: molecular-weight=847.62}}
+{{#set: molecular-weight=1041.936}}