Difference between revisions of "CPD-11527"

Latest revision as of 11:14, 18 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxybutanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cc(o)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:
- yufhotsrmdfgns-gbypgrtbsa-j
molecular-weight:
- 999.813

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-19726 ==
+== Metabolite CPD-11527 ==
 * common-name:
-** (4s)-2,3-dehydro-leucocyanidin
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxybutanoyl)-coa
 * smiles:
-** c3(c(c2(oc1(c=c(c=c(c=1c(c=2o)o)o)o)))=cc(o)=c(c=3)o)
+** ccc=ccc1(c(ccc(=o)1)cc(o)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:
-** yaagnrwejszflv-zdusscgksa-n
+** yufhotsrmdfgns-gbypgrtbsa-j
 * molecular-weight:
-** 304.256
+** 999.813
 == Reaction(s) known to consume the compound ==
+* [[RXN-10703]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-602]]
+* [[RXN-10705]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(4s)-2,3-dehydro-leucocyanidin}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxybutanoyl)-coa}}
-{{#set: inchi-key=inchikey=yaagnrwejszflv-zdusscgksa-n}}
+{{#set: inchi-key=inchikey=yufhotsrmdfgns-gbypgrtbsa-j}}
-{{#set: molecular-weight=304.256}}
+{{#set: molecular-weight=999.813}}