Difference between revisions of "CPD-11524"

Revision as of 11:14, 15 January 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7275 ==
+== Metabolite 3-CARBOXY-3-HYDROXY-ISOCAPROATE ==
 * common-name:
-** (24r,25r)-3&alpha;,7&alpha;,12&alpha;,24-tetrahydroxy-5&beta;-cholestanoyl coa
+** (2s)-2-isopropylmalate
 * smiles:
-** cc(ccc(o)c(c)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)[ch]4(cc[ch]5(c(c)4c(o)c[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
+** cc(c)c(o)(cc(=o)[o-])c([o-])=o
 * inchi-key:
-** pxhzoqnodupjkc-mtlgcjaasa-j
+** bityxlxucsktjs-zetcqymhsa-l
 * molecular-weight:
-** 1212.144
+** 174.153
 == Reaction(s) known to consume the compound ==
-* [[1.17.99.3-RXN]]
+* [[3-ISOPROPYLMALISOM-RXN]]
-* [[4.2.1.107-RXN]]
+* [[RXN-13163]]
 == Reaction(s) known to produce the compound ==
-* [[1.17.99.3-RXN]]
+* [[2-ISOPROPYLMALATESYN-RXN]]
-* [[4.2.1.107-RXN]]
+* [[3-ISOPROPYLMALISOM-RXN]]
+* [[IPMS]]
+* [[RXN-13163]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(24r,25r)-3&alpha;,7&alpha;,12&alpha;,24-tetrahydroxy-5&beta;-cholestanoyl coa}}
+{{#set: common-name=(2s)-2-isopropylmalate}}
-{{#set: inchi-key=inchikey=pxhzoqnodupjkc-mtlgcjaasa-j}}
+{{#set: inchi-key=inchikey=bityxlxucsktjs-zetcqymhsa-l}}
-{{#set: molecular-weight=1212.144}}
+{{#set: molecular-weight=174.153}}