Difference between revisions of "SJ09236"

Revision as of 14:19, 26 August 2019

common-name:
- 2-methylacetoacetyl-coa
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
inchi-key:
- nhnodhrscralbf-nqnbqjknsa-j
molecular-weight:
- 861.604

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2117 CPD0-2117] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-ACETO-ACETYL-COA 2-METHYL-ACETO-ACETYL-COA] ==
 * common-name:
-** trans-hexadec-2-enoyl-coa
+** 2-methylacetoacetyl-coa
 * smiles:
-** cccccccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=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
 * inchi-key:
-** jupaqfrkphpxld-mshhsvqmsa-j
+** nhnodhrscralbf-nqnbqjknsa-j
 * molecular-weight:
-** 999.899
+** 861.604
 == Reaction(s) known to consume the compound ==
-* [[ECOAH7h]]
+* [[1.1.1.178-RXN]]
-* [[RXN-14272]]
+* [[ACCAT]]
+* [[HMNOS]]
+* [[METHYLACETOACETYLCOATHIOL-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[ACOA160OR]]
+* [[1.1.1.178-RXN]]
-* [[ECOAH7h]]
+* [[HMNOS]]
-* [[RXN-11026-PALMITYL-COA/OXYGEN-MOLECULE//CPD0-2117/HYDROGEN-PEROXIDE.58.]]
+* [[METHYLACETOACETYLCOATHIOL-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=trans-hexadec-2-enoyl-coa}}
+{{#set: common-name=2-methylacetoacetyl-coa}}
-{{#set: inchi-key=inchikey=jupaqfrkphpxld-mshhsvqmsa-j}}
+{{#set: inchi-key=inchikey=nhnodhrscralbf-nqnbqjknsa-j}}
-{{#set: molecular-weight=999.899}}
+{{#set: molecular-weight=861.604}}