Difference between revisions of "CPD-18447"

Revision as of 13:08, 14 January 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-buta-2-enoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cc=cc(=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:
- qsaqfdywynlxec-guqxggmcsa-j
molecular-weight:
- 981.797

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CREATININE ==
+== Metabolite CPD-11526 ==
 * common-name:
-** creatinine
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-buta-2-enoyl)-coa
 * smiles:
-** cn1(cc(=o)nc(=n)1)
+** ccc=ccc1(c(ccc(=o)1)cc=cc(=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:
-** ddrjaanprjihgj-uhfffaoysa-n
+** qsaqfdywynlxec-guqxggmcsa-j
 * molecular-weight:
-** 113.119
+** 981.797
 == Reaction(s) known to consume the compound ==
-* [[CREATININASE-RXN]]
+* [[RXN-10705]]
 == Reaction(s) known to produce the compound ==
-* [[CREATININASE-RXN]]
+* [[RXN-10707]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=creatinine}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-buta-2-enoyl)-coa}}
-{{#set: inchi-key=inchikey=ddrjaanprjihgj-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=qsaqfdywynlxec-guqxggmcsa-j}}
-{{#set: molecular-weight=113.119}}
+{{#set: molecular-weight=981.797}}