Difference between revisions of "CPD0-2107"

Revision as of 14:54, 5 January 2021

common-name:
- (s)-3-hydroxydodecanoyl-coa
smiles:
- cccccccccc(o)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
inchi-key:
- ijflxrcjwpkgkj-lxixeqkwsa-j
molecular-weight:
- 961.807

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7100 ==
+== Metabolite CPD0-2107 ==
 * common-name:
-** (2s)-2-isopropyl-3-oxosuccinate
+** (s)-3-hydroxydodecanoyl-coa
 * smiles:
-** cc(c(c(=o)[o-])c(=o)c(=o)[o-])c
+** cccccccccc(o)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
 * inchi-key:
-** hiizagqwabamrr-bypyzucnsa-l
+** ijflxrcjwpkgkj-lxixeqkwsa-j
 * molecular-weight:
-** 172.137
+** 961.807
 == Reaction(s) known to consume the compound ==
-* [[3-ISOPROPYLMALDEHYDROG-RXN]]
+* [[ECOAH5]]
+* [[ECOAH5h]]
+* [[ECOAH5m]]
+* [[HACD5]]
+* [[HACD5h]]
+* [[HACD5m]]
 == Reaction(s) known to produce the compound ==
-* [[3-ISOPROPYLMALDEHYDROG-RXN]]
+* [[ECOAH5]]
-* [[IMDH]]
+* [[ECOAH5h]]
+* [[ECOAH5m]]
+* [[HACD5]]
+* [[HACD5h]]
+* [[HACD5m]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2s)-2-isopropyl-3-oxosuccinate}}
+{{#set: common-name=(s)-3-hydroxydodecanoyl-coa}}
-{{#set: inchi-key=inchikey=hiizagqwabamrr-bypyzucnsa-l}}
+{{#set: inchi-key=inchikey=ijflxrcjwpkgkj-lxixeqkwsa-j}}
-{{#set: molecular-weight=172.137}}
+{{#set: molecular-weight=961.807}}