Difference between revisions of "CPD-567"

Revision as of 15:26, 5 January 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 CPD-728 ==
+== Metabolite CPD-11528 ==
 * common-name:
-** (9z,13s,15z)-12,13-epoxyoctadeca-9,11,15-trienoate
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxobutanoyl)-coa
 * smiles:
-** ccc=cc[ch]1(oc1=cc=ccccccccc(=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:
-** yzbzoruzosczrn-dcupsmfcsa-m
+** qgjlcxxjefrwhp-jqukjzmasa-j
 * molecular-weight:
-** 291.409
+** 997.797
 == Reaction(s) known to consume the compound ==
+* [[RXN-10701]]
 == Reaction(s) known to produce the compound ==
-* [[RXN1F-19]]
+* [[RXN-10703]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(9z,13s,15z)-12,13-epoxyoctadeca-9,11,15-trienoate}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxobutanoyl)-coa}}
-{{#set: inchi-key=inchikey=yzbzoruzosczrn-dcupsmfcsa-m}}
+{{#set: inchi-key=inchikey=qgjlcxxjefrwhp-jqukjzmasa-j}}
-{{#set: molecular-weight=291.409}}
+{{#set: molecular-weight=997.797}}