Difference between revisions of "Thiocarboxylated-MPT-synthases"

Revision as of 15:29, 5 January 2021

common-name:
- (s)-3-hydroxy-3-methylglutaryl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(c)(o)cc(=o)[o-])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:
- cabvtrnmfuvudm-vrhqgpglsa-i
molecular-weight:
- 906.621

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15668 ==
+== Metabolite 3-HYDROXY-3-METHYL-GLUTARYL-COA ==
 * common-name:
-** 4-cis-undecenoyl-coa
+** (s)-3-hydroxy-3-methylglutaryl-coa
 * smiles:
-** ccccccc=cccc(=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)(c(o)c(=o)nccc(=o)nccsc(=o)cc(c)(o)cc(=o)[o-])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:
-** afmmiiqkxqnedn-nsdzghcesa-j
+** cabvtrnmfuvudm-vrhqgpglsa-i
 * molecular-weight:
-** 929.765
+** 906.621
 == Reaction(s) known to consume the compound ==
-* [[RXN-14775]]
+* [[1.1.1.34-RXN]]
+* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
+* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-14774]]
+* [[1.1.1.34-RXN]]
+* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-cis-undecenoyl-coa}}
+{{#set: common-name=(s)-3-hydroxy-3-methylglutaryl-coa}}
-{{#set: inchi-key=inchikey=afmmiiqkxqnedn-nsdzghcesa-j}}
+{{#set: inchi-key=inchikey=cabvtrnmfuvudm-vrhqgpglsa-i}}
-{{#set: molecular-weight=929.765}}
+{{#set: molecular-weight=906.621}}