Difference between revisions of "N-ACETYL-9-O-ACETYLNEURAMINATE"

Revision as of 08:25, 15 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
inchi-key:
- adgirvmshggghu-azvxsvfwsa-j
molecular-weight:
- 1025.85

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 1-ALKYL-GLYCERONE-3-PHOSPHATE ==
+== Metabolite CPD-11524 ==
 * common-name:
-** a 1-alkyl-glycerone 3-phosphate
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa
+* smiles:
+** ccc=ccc1(c(ccc(=o)1)cccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
+* inchi-key:
+** adgirvmshggghu-azvxsvfwsa-j
+* molecular-weight:
+** 1025.85
 == Reaction(s) known to consume the compound ==
-* [[RXN-17728]]
+* [[RXN-10700]]
 == Reaction(s) known to produce the compound ==
-* [[ALKYLGLYCERONE-PHOSPHATE-SYNTHASE-RXN]]
+* [[RXN-10702]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=a 1-alkyl-glycerone 3-phosphate}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxohexanoyl)-coa}}
+{{#set: inchi-key=inchikey=adgirvmshggghu-azvxsvfwsa-j}}
+{{#set: molecular-weight=1025.85}}