Difference between revisions of "CPD0-2253"

Latest revision as of 11:11, 18 March 2021

common-name:
- (s)-3-hydroxy-stearoyl-coa
smiles:
- cccccccccccccccc(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:
- wzmaiegyxcoysh-sfkgbvsgsa-j
molecular-weight:
- 1045.968

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7066 ==
+== Metabolite CPD0-2253 ==
 * common-name:
-** (2r,3s)-3-methylmalate
+** (s)-3-hydroxy-stearoyl-coa
 * smiles:
-** cc(c(=o)[o-])c(o)c([o-])=o
+** cccccccccccccccc(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:
-** npyqjihhtgfbln-sthayslisa-l
+** wzmaiegyxcoysh-sfkgbvsgsa-j
 * molecular-weight:
-** 146.099
+** 1045.968
 == Reaction(s) known to consume the compound ==
-* [[RXN-7745]]
+* [[ECOAH8]]
+* [[ECOAH8h]]
 == Reaction(s) known to produce the compound ==
+* [[ECOAH8h]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2r,3s)-3-methylmalate}}
+{{#set: common-name=(s)-3-hydroxy-stearoyl-coa}}
-{{#set: inchi-key=inchikey=npyqjihhtgfbln-sthayslisa-l}}
+{{#set: inchi-key=inchikey=wzmaiegyxcoysh-sfkgbvsgsa-j}}
-{{#set: molecular-weight=146.099}}
+{{#set: molecular-weight=1045.968}}