Difference between revisions of "SJ01790"

Revision as of 09:24, 27 August 2019

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccccc(=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:
- yyccmactoajggw-ozvhgmpnsa-j
molecular-weight:
- 1053.904

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-3-HYDROXY-BUTYRYL-COA 2-METHYL-3-HYDROXY-BUTYRYL-COA] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11520 CPD-11520] ==
 * common-name:
-** (2s,3s)-3-hydroxy-2-methylbutanoyl-coa
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa
 * smiles:
-** cc(c(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])c(c)o
+** ccc=ccc1(c(ccc(=o)1)cccccc(=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:
-** pekyntfsobaabv-lqudnsjzsa-j
+** yyccmactoajggw-ozvhgmpnsa-j
 * molecular-weight:
-** 863.619
+** 1053.904
 == Reaction(s) known to consume the compound ==
-* [[1.1.1.178-RXN]]
+* [[RXN-10699]]
-* [[HMNOS]]
-* [[TIGLYLCOA-HYDROXY-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[1.1.1.178-RXN]]
+* [[RXN-10698]]
-* [[ECH_LPAREN_3hmbcoa_RPAREN_]]
-* [[HMNOS]]
-* [[TIGLYLCOA-HYDROXY-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2s,3s)-3-hydroxy-2-methylbutanoyl-coa}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa}}
-{{#set: inchi-key=inchikey=pekyntfsobaabv-lqudnsjzsa-j}}
+{{#set: inchi-key=inchikey=yyccmactoajggw-ozvhgmpnsa-j}}
-{{#set: molecular-weight=863.619}}
+{{#set: molecular-weight=1053.904}}