Difference between revisions of "CPD-11524"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
inchi-key:
- adgirvmshggghu-azvxsvfwsa-j
molecular-weight:
- 1025.85

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-CARBOXY-3-HYDROXY-ISOCAPROATE ==
+== Metabolite CPD-11524 ==
 * common-name:
-** (2s)-2-isopropylmalate
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa
 * smiles:
-** cc(c)c(o)(cc(=o)[o-])c([o-])=o
+** ccc=ccc1(c(ccc(=o)1)cccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
 * inchi-key:
-** bityxlxucsktjs-zetcqymhsa-l
+** adgirvmshggghu-azvxsvfwsa-j
 * molecular-weight:
-** 174.153
+** 1025.85
 == Reaction(s) known to consume the compound ==
-* [[3-ISOPROPYLMALISOM-RXN]]
+* [[RXN-10700]]
-* [[RXN-13163]]
 == Reaction(s) known to produce the compound ==
-* [[2-ISOPROPYLMALATESYN-RXN]]
+* [[RXN-10702]]
-* [[3-ISOPROPYLMALISOM-RXN]]
-* [[IPMS]]
-* [[RXN-13163]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2s)-2-isopropylmalate}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa}}
-{{#set: inchi-key=inchikey=bityxlxucsktjs-zetcqymhsa-l}}
+{{#set: inchi-key=inchikey=adgirvmshggghu-azvxsvfwsa-j}}
-{{#set: molecular-weight=174.153}}
+{{#set: molecular-weight=1025.85}}