Difference between revisions of "1-4-D-xylooligosaccharides"

Revision as of 15:12, 15 March 2021

common-name:
- (3z)-dodec-3-enoyl-coa
molecular-weight:
- 943.792
inchi-key:
- xemivmktvgrftd-qxmhvhedsa-j
smiles:
- ccccccccc=ccc(sccnc(ccnc(c(c(cop(op(occ3(c(op(=o)([o-])[o-])c(o)c(n2(c1(n=cn=c(n)c=1n=c2)))o3))(=o)[o-])(=o)[o-])(c)c)o)=o)=o)=o

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11608 ==
+== Metabolite CPD-7221 ==
 * common-name:
-** &beta;-sitosterol 3-o-&beta;-d-glucoside
+** (3z)-dodec-3-enoyl-coa
 * molecular-weight:
-** 576.855
+** 943.792
 * inchi-key:
-** npjictmalkltfw-kuenwnpssa-n
+** xemivmktvgrftd-qxmhvhedsa-j
 * smiles:
-** ccc(c(c)c)ccc(c)[ch]4(cc[ch]5([ch]3(cc=c2(cc(oc1(oc(co)c(o)c(o)c(o)1))ccc(c)2[ch]3ccc(c)45))))
+** ccccccccc=ccc(sccnc(ccnc(c(c(cop(op(occ3(c(op(=o)([o-])[o-])c(o)c(n2(c1(n=cn=c(n)c=1n=c2)))o3))(=o)[o-])(=o)[o-])(c)c)o)=o)=o)=o
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-12128]]
+* [[RXN-14394]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=&beta;-sitosterol 3-o-&beta;-d-glucoside}}
+{{#set: common-name=(3z)-dodec-3-enoyl-coa}}
-{{#set: molecular-weight=576.855}}
+{{#set: molecular-weight=943.792}}
-{{#set: inchi-key=inchikey=npjictmalkltfw-kuenwnpssa-n}}
+{{#set: inchi-key=inchikey=xemivmktvgrftd-qxmhvhedsa-j}}