Difference between revisions of "CPD-10254"

Latest revision as of 11:12, 18 March 2021

common-name:
- (9z,12z)-hexadeca-9,12-dienoyl-coa
smiles:
- cccc=ccc=ccccccccc(=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:
- cqxsjfxwargobe-pcrjdaltsa-j
molecular-weight:
- 997.883

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite N-ACETYL-9-O-ACETYLNEURAMINATE ==
+== Metabolite CPD-10254 ==
 * common-name:
-** n-acetyl-9-o-acetylneuraminate
+** (9z,12z)-hexadeca-9,12-dienoyl-coa
 * smiles:
-** cc(nc1(c(cc(o)(c(=o)[o-])oc1c(c(coc(=o)c)o)o)o))=o
+** cccc=ccc=ccccccccc(=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:
-** nywzbrwkdrmpas-gyqvtdhrsa-m
+** cqxsjfxwargobe-pcrjdaltsa-j
 * molecular-weight:
-** 350.302
+** 997.883
 == Reaction(s) known to consume the compound ==
-* [[RXN-7864]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-7864]]
+* [[RXN-9616]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=n-acetyl-9-o-acetylneuraminate}}
+{{#set: common-name=(9z,12z)-hexadeca-9,12-dienoyl-coa}}
-{{#set: inchi-key=inchikey=nywzbrwkdrmpas-gyqvtdhrsa-m}}
+{{#set: inchi-key=inchikey=cqxsjfxwargobe-pcrjdaltsa-j}}
-{{#set: molecular-weight=350.302}}
+{{#set: molecular-weight=997.883}}