Difference between revisions of "CPD-8550"

Revision as of 11:19, 15 January 2021

common-name:
- acetoacetyl-coa
smiles:
- 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-]
inchi-key:
- ojfdkhtzouzbos-citakdkdsa-j
molecular-weight:
- 847.577

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-19010 ==
+== Metabolite ACETOACETYL-COA ==
 * common-name:
-** 1,2-epoxy-2-methylpropane
+** acetoacetyl-coa
 * smiles:
-** cc1(c)(oc1)
+** 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-]
 * inchi-key:
-** gelkghvafrcjna-uhfffaoysa-n
+** ojfdkhtzouzbos-citakdkdsa-j
 * molecular-weight:
-** 72.107
+** 847.577
 == Reaction(s) known to consume the compound ==
-* [[RXN-17589]]
+* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
+* [[ACACT1h]]
+* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
+* [[HACD1h]]
+* [[HBCO_LPAREN_nadp_RPAREN_]]
+* [[HBCO_LPAREN_nadp_RPAREN_m]]
+* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
+* [[RXN-11662]]
+* [[RXN-5901]]
 == Reaction(s) known to produce the compound ==
+* [[ACACT]]
+* [[ACACT1h]]
+* [[ACETOACETATE--COA-LIGASE-RXN]]
+* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
+* [[HACD1h]]
+* [[HBCO]]
+* [[HBCO_LPAREN_nadp_RPAREN_]]
+* [[HBCO_LPAREN_nadp_RPAREN_m]]
+* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
+* [[RXN-11662]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1,2-epoxy-2-methylpropane}}
+{{#set: common-name=acetoacetyl-coa}}
-{{#set: inchi-key=inchikey=gelkghvafrcjna-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=ojfdkhtzouzbos-citakdkdsa-j}}
-{{#set: molecular-weight=72.107}}
+{{#set: molecular-weight=847.577}}