Difference between revisions of "CPD0-1080"

Latest revision as of 11:14, 17 October 2022

common-name:
- glcnac-1,6-anhmurnac-l-ala-γ-d-glu-dap-d-ala
inchi-key:
- upfmkpibaiplht-rsjsdidpsa-l
molecular-weight:
- 919.892
smiles:
- c[c@@h](c(=o)n[c@@h](c(=o)[o-])ccc(=o)n[c@@h](ccc[c@@h]([n+])c(=o)[o-])c(n[c@h](c)c(=o)[o-])=o)nc(=o)[c@@h](c)o[c@@h]2([c@h](o[c@h]1(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(c)=o)1))[c@@h]3(co[c@@h]([c@h](nc(=o)c)2)o3))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-14269 ==
+== Metabolite CPD0-1080 ==
 * common-name:
-** (15z)-tetracosenoyl-coa
+** glcnac-1,6-anhmurnac-l-ala-&gamma;-d-glu-dap-d-ala
 * inchi-key:
-** qhzaqvtvyphlkk-yvbaagqksa-j
+** upfmkpibaiplht-rsjsdidpsa-l
 * molecular-weight:
-** 1112.113
+** 919.892
 * smiles:
-** ccccccccc=ccccccccccccccc(sccnc(=o)ccnc(=o)[c@h](o)c(c)(c)cop(=o)(op(=o)(oc[c@h]1([c@@h](op([o-])(=o)[o-])[c@@h](o)[c@@h](o1)n2(c3(n=cn=c(c(n=c2)=3)n))))[o-])[o-])=o
+** c[c@@h](c(=o)n[c@@h](c(=o)[o-])ccc(=o)n[c@@h](ccc[c@@h]([n+])c(=o)[o-])c(n[c@h](c)c(=o)[o-])=o)nc(=o)[c@@h](c)o[c@@h]2([c@h](o[c@h]1(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(c)=o)1))[c@@h]3(co[c@@h]([c@h](nc(=o)c)2)o3))
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-13290]]
+* [[RXN-17391]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(15z)-tetracosenoyl-coa}}
+{{#set: common-name=glcnac-1,6-anhmurnac-l-ala-&gamma;-d-glu-dap-d-ala}}
-{{#set: inchi-key=inchikey=qhzaqvtvyphlkk-yvbaagqksa-j}}
+{{#set: inchi-key=inchikey=upfmkpibaiplht-rsjsdidpsa-l}}
-{{#set: molecular-weight=1112.113}}
+{{#set: molecular-weight=919.892}}