Difference between revisions of "PWY-5338"

Revision as of 14:19, 26 August 2019

common-name:
- 3-oxo-docosapentaenoyl-coa
smiles:
- ccc=ccc=ccc=ccc=ccc=ccccc(=o)cc(=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-]
inchi-key:
- slykkqsprfjdaf-hvganwhpsa-j
molecular-weight:
- 1089.98

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18762 CPD-18762] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14423 CPD-14423] ==
 * common-name:
-** 4-hydroxy-2-methyl-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4h)-one 1-oxide
+** 3-oxo-docosapentaenoyl-coa
 * smiles:
-** cc(c)=cccc(c)=cccc(c)=ccc2(o)(c(c1(c=cc=cc=1[n+](=c(c)2)[o-]))=o)
+** ccc=ccc=ccc=ccc=ccc=ccccc(=o)cc(=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-]
 * inchi-key:
-** hzbjgdkeajeslm-yefhwucqsa-n
+** slykkqsprfjdaf-hvganwhpsa-j
 * molecular-weight:
-** 395.541
+** 1089.98
 == Reaction(s) known to consume the compound ==
-* [[RXN-17334]]
+* [[RXN-13443]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-hydroxy-2-methyl-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4h)-one 1-oxide}}
+{{#set: common-name=3-oxo-docosapentaenoyl-coa}}
-{{#set: inchi-key=inchikey=hzbjgdkeajeslm-yefhwucqsa-n}}
+{{#set: inchi-key=inchikey=slykkqsprfjdaf-hvganwhpsa-j}}
-{{#set: molecular-weight=395.541}}
+{{#set: molecular-weight=1089.98}}