Difference between revisions of "CPD-12905"

Latest revision as of 19:36, 17 March 2021

common-name:
- 3-hydroxy-5-methylhex-4-enoyl-coa
molecular-weight:
- 889.657
inchi-key:
- olzynlskrkfujc-fpviqycmsa-j
smiles:
- cc(c)=cc(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-]

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13758 ==
+== Metabolite CPD-12905 ==
 * common-name:
-** 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-oxopropanoyl-coa
+** 3-hydroxy-5-methylhex-4-enoyl-coa
 * molecular-weight:
-** 999.769
+** 889.657
 * inchi-key:
-** ogahroymeoborv-xongilkksa-j
+** olzynlskrkfujc-fpviqycmsa-j
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(=o)c1(c(o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
+** cc(c)=cc(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-]
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-12750]]
+* [[RXN-11919]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-oxopropanoyl-coa}}
+{{#set: common-name=3-hydroxy-5-methylhex-4-enoyl-coa}}
-{{#set: molecular-weight=999.769}}
+{{#set: molecular-weight=889.657}}
-{{#set: inchi-key=inchikey=ogahroymeoborv-xongilkksa-j}}
+{{#set: inchi-key=inchikey=olzynlskrkfujc-fpviqycmsa-j}}