Difference between revisions of "1-INDANOL"

Revision as of 15:11, 15 March 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD0-934 ==
+== Metabolite DIHYDROXYPHENYLGLYCOLALDEHYDE ==
 * common-name:
-** glucosyl-(heptosyl)3-kdo2-lipid a-phosphate
+** 3,4-dihydroxyphenylglycolaldehyde
 * molecular-weight:
-** 3049.306
+** 168.149
 * inchi-key:
-** qhkuhequrqlsfa-okljqypqsa-f
+** yugmcljiwgekck-qmmmgpobsa-n
 * smiles:
-** cccccccccccccc(=o)oc(ccccccccccc)cc(=o)oc7(c(c(oc(coc6(c(=o)[o-])(o[ch](c(o)co)c(oc4(o[ch](c(o)co)c(op([o-])([o-])=o)c(oc3(o[ch](c(coc1(o[ch](c(o)co)c(o)c(o)c(o)1))o)c(o)c(oc2(oc(co)c(o)c(o)c(o)2))c(o)3))c(o)4))c(oc5(o[ch](c(co)o)c(o)c(o)c5)c(=o)[o-])c6))c7op([o-])([o-])=o)occ8(c(o)c(oc(=o)cc(o)ccccccccccc)c(nc(=o)cc(o)ccccccccccc)c(op([o-])([o-])=o)o8))nc(cc(oc(=o)ccccccccccc)ccccccccccc)=o)
+** c(=o)c(o)c1(c=cc(o)=c(o)c=1)
 == Reaction(s) known to consume the compound ==
-* [[RXN-14361]]
+* [[RXN-10911]]
+* [[RXN-10912]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=glucosyl-(heptosyl)3-kdo2-lipid a-phosphate}}
+{{#set: common-name=3,4-dihydroxyphenylglycolaldehyde}}
-{{#set: molecular-weight=3049.306}}
+{{#set: molecular-weight=168.149}}
-{{#set: inchi-key=inchikey=qhkuhequrqlsfa-okljqypqsa-f}}
+{{#set: inchi-key=inchikey=yugmcljiwgekck-qmmmgpobsa-n}}