Difference between revisions of "CPD-11519"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyoctanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccccc(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:
- pddhcvxpabqiso-xjjfhseksa-j
molecular-weight:
- 1055.92

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPDQT-27 ==
+== Metabolite CPD-11519 ==
 * common-name:
-** 6-(methylthio)-2-oxohexanoate
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyoctanoyl)-coa
 * smiles:
-** csccccc(=o)c([o-])=o
+** ccc=ccc1(c(ccc(=o)1)cccccc(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:
-** grugzhaoxopasc-uhfffaoysa-m
+** pddhcvxpabqiso-xjjfhseksa-j
 * molecular-weight:
-** 175.222
+** 1055.92
 == Reaction(s) known to consume the compound ==
+* [[RXN-10698]]
 == Reaction(s) known to produce the compound ==
-* [[RXNQT-4165]]
+* [[RXN-10697]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=6-(methylthio)-2-oxohexanoate}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyoctanoyl)-coa}}
-{{#set: inchi-key=inchikey=grugzhaoxopasc-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=pddhcvxpabqiso-xjjfhseksa-j}}
-{{#set: molecular-weight=175.222}}
+{{#set: molecular-weight=1055.92}}