Difference between revisions of "CPD-12905"

Latest revision as of 11:16, 18 March 2021

common-name:
- 3-hydroxy-5-methylhex-4-enoyl-coa
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-]
inchi-key:
- olzynlskrkfujc-fpviqycmsa-j
molecular-weight:
- 889.657

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD0-934 ==
+== Metabolite CPD-12905 ==
 * common-name:
-** glucosyl-(heptosyl)3-kdo2-lipid a-phosphate
+** 3-hydroxy-5-methylhex-4-enoyl-coa
 * smiles:
-** cccccccccccccc(=o)oc(cc(oc2(c(c(occ1(oc(op([o-])(=o)[o-])c(nc(=o)cc(o)ccccccccccc)c(oc(=o)cc(o)ccccccccccc)c(o)1))oc(c2op([o-])([o-])=o)coc8(c([o-])=o)(oc(c(o)co)c(oc6(oc(c(co)o)c(c(oc5(oc(c(coc3(oc(c(co)o)c(c(o)c3o)o))o)c(c(oc4(c(c(c(c(co)o4)o)o)o))c5o)o))c6o)op([o-])(=o)[o-]))c(oc7(c(=o)[o-])(oc(c(o)co)c(o)c(o)c7))c8))nc(cc(ccccccccccc)oc(ccccccccccc)=o)=o))=o)ccccccccccc
+** 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-]
 * inchi-key:
-** qhkuhequrqlsfa-jyysnnmzsa-f
+** olzynlskrkfujc-fpviqycmsa-j
 * molecular-weight:
-** 3049.306
+** 889.657
 == Reaction(s) known to consume the compound ==
-* [[RXN-14361]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-11919]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=glucosyl-(heptosyl)3-kdo2-lipid a-phosphate}}
+{{#set: common-name=3-hydroxy-5-methylhex-4-enoyl-coa}}
-{{#set: inchi-key=inchikey=qhkuhequrqlsfa-jyysnnmzsa-f}}
+{{#set: inchi-key=inchikey=olzynlskrkfujc-fpviqycmsa-j}}
-{{#set: molecular-weight=3049.306}}
+{{#set: molecular-weight=889.657}}