Difference between revisions of "CPD-3061"

Revision as of 15:29, 5 January 2021

common-name:
- glucosyl-(heptosyl)3-kdo2-lipid a-phosphate
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
inchi-key:
- qhkuhequrqlsfa-jyysnnmzsa-f
molecular-weight:
- 3049.306

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite HOMO-CIS-ACONITATE ==
+== Metabolite CPD0-934 ==
 * common-name:
-** cis-homoaconitate
+** glucosyl-(heptosyl)3-kdo2-lipid a-phosphate
 * smiles:
-** c(=o)([o-])c=c(ccc([o-])=o)c(=o)[o-]
+** 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
 * inchi-key:
-** bjypzfuwwjsakc-arjawskdsa-k
+** qhkuhequrqlsfa-jyysnnmzsa-f
 * molecular-weight:
-** 185.113
+** 3049.306
 == Reaction(s) known to consume the compound ==
-* [[HOMOACONITATE-HYDRATASE-RXN]]
+* [[RXN-14361]]
 == Reaction(s) known to produce the compound ==
-* [[HOMOACONITATE-HYDRATASE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=cis-homoaconitate}}
+{{#set: common-name=glucosyl-(heptosyl)3-kdo2-lipid a-phosphate}}
-{{#set: inchi-key=inchikey=bjypzfuwwjsakc-arjawskdsa-k}}
+{{#set: inchi-key=inchikey=qhkuhequrqlsfa-jyysnnmzsa-f}}
-{{#set: molecular-weight=185.113}}
+{{#set: molecular-weight=3049.306}}