Difference between revisions of "CPD-11444"

Latest revision as of 11:16, 18 March 2021

common-name:
- uroporphyrinogen-i
smiles:
- c(=o)([o-])ccc5(=c4(nc(cc1(nc(=c(cc([o-])=o)c(ccc(=o)[o-])=1)cc2(nc(=c(c(ccc(=o)[o-])=2)cc(=o)[o-])cc3(=c(ccc([o-])=o)c(cc(=o)[o-])=c(n3)c4))))=c(cc(=o)[o-])5))
inchi-key:
- qttnoskslatgqb-uhfffaoysa-f
molecular-weight:
- 828.742

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 4-P-PANTOTHENATE ==
+== Metabolite CPD-11444 ==
 * common-name:
-** (r)-4'-phosphopantothenate
+** uroporphyrinogen-i
 * smiles:
-** cc(c(c(=o)nccc(=o)[o-])o)(cop([o-])([o-])=o)c
+** c(=o)([o-])ccc5(=c4(nc(cc1(nc(=c(cc([o-])=o)c(ccc(=o)[o-])=1)cc2(nc(=c(c(ccc(=o)[o-])=2)cc(=o)[o-])cc3(=c(ccc([o-])=o)c(cc(=o)[o-])=c(n3)c4))))=c(cc(=o)[o-])5))
 * inchi-key:
-** xhfvghpgdldeqo-zetcqymhsa-k
+** qttnoskslatgqb-uhfffaoysa-f
 * molecular-weight:
-** 296.193
+** 828.742
 == Reaction(s) known to consume the compound ==
-* [[P-PANTOCYSLIG-RXN]]
+* [[RXN-10642]]
 == Reaction(s) known to produce the compound ==
-* [[PANTOTHENATE-KIN-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(r)-4'-phosphopantothenate}}
+{{#set: common-name=uroporphyrinogen-i}}
-{{#set: inchi-key=inchikey=xhfvghpgdldeqo-zetcqymhsa-k}}
+{{#set: inchi-key=inchikey=qttnoskslatgqb-uhfffaoysa-f}}
-{{#set: molecular-weight=296.193}}
+{{#set: molecular-weight=828.742}}