Difference between revisions of "ISOBUTANOL"

Latest revision as of 11:16, 18 March 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13757 ==
+== Metabolite ISOBUTANOL ==
 * common-name:
-** 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa
+** isobutanol
 * 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)co
 * inchi-key:
-** gxyiojonrqgucv-swbalsfasa-j
+** zxekiibdnhejcq-uhfffaoysa-n
 * molecular-weight:
-** 1001.785
+** 74.122
 == Reaction(s) known to consume the compound ==
-* [[RXN-12750]]
+* [[RXN-7657]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-7657]]
 == 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-hydroxypropanoyl-coa}}
+{{#set: common-name=isobutanol}}
-{{#set: inchi-key=inchikey=gxyiojonrqgucv-swbalsfasa-j}}
+{{#set: inchi-key=inchikey=zxekiibdnhejcq-uhfffaoysa-n}}
-{{#set: molecular-weight=1001.785}}
+{{#set: molecular-weight=74.122}}