Difference between revisions of "2-METHYL-ACETO-ACETYL-COA"

Latest revision as of 19:35, 17 March 2021

common-name:
- 2-methylacetoacetyl-coa
molecular-weight:
- 861.604
inchi-key:
- nhnodhrscralbf-nqnbqjknsa-j
smiles:
- cc(c(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)c(=o)c

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15678 ==
+== Metabolite 2-METHYL-ACETO-ACETYL-COA ==
 * common-name:
-** 4-trans-3-oxo-undecenoyl-coa
+** 2-methylacetoacetyl-coa
 * molecular-weight:
-** 943.749
+** 861.604
 * inchi-key:
-** xbfqfvlnmjddng-dupkwvsksa-j
+** nhnodhrscralbf-nqnbqjknsa-j
 * smiles:
-** ccccccc=cc(=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-]
+** cc(c(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)c(=o)c
 == Reaction(s) known to consume the compound ==
-* [[RXN-14793]]
+* [[1.1.1.178-RXN]]
+* [[METHYLACETOACETYLCOATHIOL-RXN]]
 == Reaction(s) known to produce the compound ==
+* [[1.1.1.178-RXN]]
+* [[METHYLACETOACETYLCOATHIOL-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-trans-3-oxo-undecenoyl-coa}}
+{{#set: common-name=2-methylacetoacetyl-coa}}
-{{#set: molecular-weight=943.749}}
+{{#set: molecular-weight=861.604}}
-{{#set: inchi-key=inchikey=xbfqfvlnmjddng-dupkwvsksa-j}}
+{{#set: inchi-key=inchikey=nhnodhrscralbf-nqnbqjknsa-j}}