Difference between revisions of "CPD-11528"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxobutanoyl)-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:
- qgjlcxxjefrwhp-jqukjzmasa-j
molecular-weight:
- 997.797

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 4-hydroxybenzoate ==
+== Metabolite CPD-11528 ==
 * common-name:
-** 4-hydroxybenzoate
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxobutanoyl)-coa
 * smiles:
-** c(c1(c=cc(=cc=1)o))(=o)[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:
-** fjkrolugyxjwqn-uhfffaoysa-m
+** qgjlcxxjefrwhp-jqukjzmasa-j
 * molecular-weight:
-** 137.115
+** 997.797
 == Reaction(s) known to consume the compound ==
-* [[4OHBENZOATE-OCTAPRENYLTRANSFER-RXN]]
+* [[RXN-10701]]
-* [[RXN-9003]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-10703]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-hydroxybenzoate}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxobutanoyl)-coa}}
-{{#set: inchi-key=inchikey=fjkrolugyxjwqn-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=qgjlcxxjefrwhp-jqukjzmasa-j}}
-{{#set: molecular-weight=137.115}}
+{{#set: molecular-weight=997.797}}