Difference between revisions of "CPD-12777"

Latest revision as of 11:12, 18 March 2021

common-name:
- (3r)-hydroxydecanoyl-coa
smiles:
- cccccccc(cc(sccnc(ccnc(c(c(cop(=o)([o-])op(occ1(oc(c(c1op([o-])([o-])=o)o)n3(c=nc2(c(=nc=nc=23)n))))([o-])=o)(c)c)o)=o)=o)=o)o
inchi-key:
- hivsmyzamunfkz-dulmrfqqsa-j
molecular-weight:
- 933.753

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-CARBOXY-3-HYDROXY-ISOCAPROATE ==
+== Metabolite CPD-12777 ==
 * common-name:
-** (2s)-2-isopropylmalate
+** (3r)-hydroxydecanoyl-coa
 * smiles:
-** cc(c)c(o)(cc(=o)[o-])c([o-])=o
+** cccccccc(cc(sccnc(ccnc(c(c(cop(=o)([o-])op(occ1(oc(c(c1op([o-])([o-])=o)o)n3(c=nc2(c(=nc=nc=23)n))))([o-])=o)(c)c)o)=o)=o)=o)o
 * inchi-key:
-** bityxlxucsktjs-zetcqymhsa-l
+** hivsmyzamunfkz-dulmrfqqsa-j
 * molecular-weight:
-** 174.153
+** 933.753
 == Reaction(s) known to consume the compound ==
-* [[3-ISOPROPYLMALISOM-RXN]]
+* [[RXN-14805]]
-* [[RXN-13163]]
 == Reaction(s) known to produce the compound ==
-* [[2-ISOPROPYLMALATESYN-RXN]]
+* [[RXN-11797]]
-* [[3-ISOPROPYLMALISOM-RXN]]
+* [[RXN-14805]]
-* [[IPMS]]
-* [[RXN-13163]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2s)-2-isopropylmalate}}
+{{#set: common-name=(3r)-hydroxydecanoyl-coa}}
-{{#set: inchi-key=inchikey=bityxlxucsktjs-zetcqymhsa-l}}
+{{#set: inchi-key=inchikey=hivsmyzamunfkz-dulmrfqqsa-j}}
-{{#set: molecular-weight=174.153}}
+{{#set: molecular-weight=933.753}}