Difference between revisions of "CPD-17757"

Latest revision as of 11:16, 18 March 2021

common-name:
- 4-deoxy-β-d-gluc-4-enuronosyl-(1,3)-n-acetyl--d-glucosamine 6-sulfate
smiles:
- cc(=o)nc2(c(o)oc(cos(=o)(=o)[o-])c(o)c(oc1(oc(c([o-])=o)=cc(o)c(o)1))2)
inchi-key:
- bujztfindcqrgp-zdlrkiohsa-l
molecular-weight:
- 457.362

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13755 ==
+== Metabolite CPD-17757 ==
 * common-name:
-** 5-hydroxy-3-[(3as,4s,5r,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa
+** 4-deoxy-&beta;-d-gluc-4-enuronosyl-(1,3)-n-acetyl--d-glucosamine 6-sulfate
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)ccc1(c(o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
+** cc(=o)nc2(c(o)oc(cos(=o)(=o)[o-])c(o)c(oc1(oc(c([o-])=o)=cc(o)c(o)1))2)
 * inchi-key:
-** akniqsrwpadumx-odlrqibisa-j
+** bujztfindcqrgp-zdlrkiohsa-l
 * molecular-weight:
-** 985.786
+** 457.362
 == Reaction(s) known to consume the compound ==
-* [[RXN-12747]]
+* [[RXN-16512]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12747]]
+* [[RXN-16512]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=5-hydroxy-3-[(3as,4s,5r,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa}}
+{{#set: common-name=4-deoxy-&beta;-d-gluc-4-enuronosyl-(1,3)-n-acetyl--d-glucosamine 6-sulfate}}
-{{#set: inchi-key=inchikey=akniqsrwpadumx-odlrqibisa-j}}
+{{#set: inchi-key=inchikey=bujztfindcqrgp-zdlrkiohsa-l}}
-{{#set: molecular-weight=985.786}}
+{{#set: molecular-weight=457.362}}