Difference between revisions of "CPD0-2030"

Revision as of 18:55, 14 January 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-butanoyl-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccc(=o)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-])
inchi-key:
- yyuzysvpfvoylb-rguwmiccsa-j
molecular-weight:
- 983.813

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD0-2340 ==
+== Metabolite CPD-11525 ==
 * common-name:
-** (z)-3-peroxyaminoacrylate
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-butanoyl-coa
 * smiles:
-** [ch](n)=cc(=o)oo
+** ccc=ccc1(c(ccc(=o)1)cccc(=o)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-])
 * inchi-key:
-** wqkgfglgyohjog-uphrsurjsa-n
+** yyuzysvpfvoylb-rguwmiccsa-j
 * molecular-weight:
-** 103.077
+** 983.813
 == Reaction(s) known to consume the compound ==
+* [[RXN-10707]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12894]]
+* [[RXN-10700]]
-* [[RXN0-6460]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(z)-3-peroxyaminoacrylate}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-butanoyl-coa}}
-{{#set: inchi-key=inchikey=wqkgfglgyohjog-uphrsurjsa-n}}
+{{#set: inchi-key=inchikey=yyuzysvpfvoylb-rguwmiccsa-j}}
-{{#set: molecular-weight=103.077}}
+{{#set: molecular-weight=983.813}}