Difference between revisions of "CPD-8462"

Revision as of 14:59, 5 January 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13757 ==
+== Metabolite CPD-157 ==
 * common-name:
-** 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa
+** (2z,4e)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(c(o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
+** c([o-])(=o)ccc(=o)c=cc=c(c([o-])=o)o
 * inchi-key:
-** gxyiojonrqgucv-swbalsfasa-j
+** rfenovfrmprrji-ydcwotkksa-l
 * molecular-weight:
-** 1001.785
+** 212.159
 == Reaction(s) known to consume the compound ==
-* [[RXN-12750]]
+* [[MHPCHYDROL-RXN]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa}}
+{{#set: common-name=(2z,4e)-2-hydroxy-6-oxonona-2,4-diene-1,9-dioate}}
-{{#set: inchi-key=inchikey=gxyiojonrqgucv-swbalsfasa-j}}
+{{#set: inchi-key=inchikey=rfenovfrmprrji-ydcwotkksa-l}}
-{{#set: molecular-weight=1001.785}}
+{{#set: molecular-weight=212.159}}