Difference between revisions of "ITACONATE"

Revision as of 13:10, 14 January 2021

common-name:
- n-acetyl-α-d-galactosaminyl-(1→3)-n-acetyl-α-d-galactosaminyldiphospho-ditrans,octacis-undecaprenol
smiles:
- cc(c)=cccc(c)=cccc(c)=cccc(=cccc(=cccc(=cccc(c)=cccc(=cccc(=cccc(=cccc(=ccop(=o)([o-])op([o-])(=o)oc1(c(c(c(c(o1)co)o)oc2(oc(co)c(o)c(o)c(nc(=o)c)2))nc(c)=o))c)c)c)c)c)c)c
inchi-key:
- sgclprbyahbrpd-qozjjacasa-l
molecular-weight:
- 1331.648

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite RIBOFLAVIN ==
+== Metabolite CPD-15431 ==
 * common-name:
-** riboflavin
+** n-acetyl-&alpha;-d-galactosaminyl-(1&rarr;3)-n-acetyl-&alpha;-d-galactosaminyldiphospho-ditrans,octacis-undecaprenol
 * smiles:
-** cc1(c=c3(c(=cc(c)=1)n(cc(o)c(o)c(o)co)c2(c(c(=o)[n-]c(=o)n=2)=n3)))
+** cc(c)=cccc(c)=cccc(c)=cccc(=cccc(=cccc(=cccc(c)=cccc(=cccc(=cccc(=cccc(=ccop(=o)([o-])op([o-])(=o)oc1(c(c(c(c(o1)co)o)oc2(oc(co)c(o)c(o)c(nc(=o)c)2))nc(c)=o))c)c)c)c)c)c)c
 * inchi-key:
-** aunganrzjhbgpy-scrdcrapsa-m
+** sgclprbyahbrpd-qozjjacasa-l
 * molecular-weight:
-** 375.36
+** 1331.648
 == Reaction(s) known to consume the compound ==
-* [[ARPT]]
+* [[RXN-14561]]
-* [[NADPH-DEHYDROGENASE-FLAVIN-RXN]]
-* [[RIBOFLAVINKIN-RXN]]
-* [[RXN-12445]]
 == Reaction(s) known to produce the compound ==
-* [[RIBOFLAVIN-SYN-RXN]]
-* [[RXN0-5187]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=riboflavin}}
+{{#set: common-name=n-acetyl-&alpha;-d-galactosaminyl-(1&rarr;3)-n-acetyl-&alpha;-d-galactosaminyldiphospho-ditrans,octacis-undecaprenol}}
-{{#set: inchi-key=inchikey=aunganrzjhbgpy-scrdcrapsa-m}}
+{{#set: inchi-key=inchikey=sgclprbyahbrpd-qozjjacasa-l}}
-{{#set: molecular-weight=375.36}}
+{{#set: molecular-weight=1331.648}}