Difference between revisions of "CPD-11524"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccc(=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:
- adgirvmshggghu-azvxsvfwsa-j
molecular-weight:
- 1025.85

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-6972 ==
+== Metabolite CPD-11524 ==
 * common-name:
-** 4-(2'-carboxyphenyl)-4-oxobutyryl-coa
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa
 * smiles:
-** cc(cop([o-])(=o)op([o-])(=o)occ3(c(c(c(n2(c=nc1(c(=nc=nc=12)n)))o3)o)op([o-])(=o)[o-]))(c)c(c(nccc(nccsc(ccc(c4(c=cc=cc(c([o-])=o)=4))=o)=o)=o)=o)o
+** ccc=ccc1(c(ccc(=o)1)cccc(=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:
-** kvaqapqxoxtrae-uhfffaoysa-i
+** adgirvmshggghu-azvxsvfwsa-j
 * molecular-weight:
-** 966.676
+** 1025.85
 == Reaction(s) known to consume the compound ==
-* [[NAPHTHOATE-SYN-RXN]]
+* [[RXN-10700]]
 == Reaction(s) known to produce the compound ==
-* [[NPHS]]
+* [[RXN-10702]]
-* [[O-SUCCINYLBENZOATE-COA-LIG-RXN]]
-* [[RXN-7614]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-(2'-carboxyphenyl)-4-oxobutyryl-coa}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa}}
-{{#set: inchi-key=inchikey=kvaqapqxoxtrae-uhfffaoysa-i}}
+{{#set: inchi-key=inchikey=adgirvmshggghu-azvxsvfwsa-j}}
-{{#set: molecular-weight=966.676}}
+{{#set: molecular-weight=1025.85}}