Difference between revisions of "Keratan-sulfate-NAcGlcN6S"

Revision as of 18:54, 14 January 2021

common-name:
- (3r)-hydroxy, 4-trans-undecenoyl-coa
smiles:
- ccccccc=cc(o)cc(=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:
- anvriwfxmmcuph-qyzxfxbmsa-j
molecular-weight:
- 945.764

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-12850 ==
+== Metabolite CPD-15662 ==
 * common-name:
-** 4&alpha;,14&alpha;-dimethyl-9&beta;,19-cyclo-5&alpha;-cholest-24-en-3&beta;-ol
+** (3r)-hydroxy, 4-trans-undecenoyl-coa
+* smiles:
+** ccccccc=cc(o)cc(=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:
-** xzeuytksaynypk-wxpwfurysa-n
+** anvriwfxmmcuph-qyzxfxbmsa-j
 * molecular-weight:
-** 412.698
+** 945.764
-* smiles:
-** cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@]4(c)([c@h]1(cc[c@@h]5([c@h](c)[c@@h](o)cc[c@@]2(c[c@@]12cc[c@](c)34)5))))
 == Reaction(s) known to consume the compound ==
-* [[RXN11876]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-21831]]
+* [[RXN-14791]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4&alpha;,14&alpha;-dimethyl-9&beta;,19-cyclo-5&alpha;-cholest-24-en-3&beta;-ol}}
+{{#set: common-name=(3r)-hydroxy, 4-trans-undecenoyl-coa}}
-{{#set: inchi-key=inchikey=xzeuytksaynypk-wxpwfurysa-n}}
+{{#set: inchi-key=inchikey=anvriwfxmmcuph-qyzxfxbmsa-j}}
-{{#set: molecular-weight=412.698}}
+{{#set: molecular-weight=945.764}}