Difference between revisions of "CPD-11518"

Latest revision as of 19:34, 17 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa
molecular-weight:
- 1037.905
inchi-key:
- wdbpmrzybzciqe-dzxubonnsa-j
smiles:
- ccc=ccc1(c(ccc(=o)1)cccccc=cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-353 ==
+== Metabolite CPD-11518 ==
 * common-name:
-** gdp-&alpha;-d-rhamnose
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa
 * molecular-weight:
-** 587.33
+** 1037.905
 * inchi-key:
-** lqebexmhblqmdb-gdjbgnaasa-l
+** wdbpmrzybzciqe-dzxubonnsa-j
 * smiles:
-** cc4(oc(op(=o)([o-])op(=o)([o-])occ1(oc(c(o)c(o)1)n3(c=nc2(c(=o)nc(n)=nc=23))))c(o)c(o)c(o)4)
+** ccc=ccc1(c(ccc(=o)1)cccccc=cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
 == Reaction(s) known to consume the compound ==
+* [[RXN-10697]]
 == Reaction(s) known to produce the compound ==
-* [[GDP-4-DEHYDRO-D-RHAMNOSE-REDUCTASE-RXN]]
+* [[RXN-10696]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=gdp-&alpha;-d-rhamnose}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa}}
-{{#set: molecular-weight=587.33}}
+{{#set: molecular-weight=1037.905}}
-{{#set: inchi-key=inchikey=lqebexmhblqmdb-gdjbgnaasa-l}}
+{{#set: inchi-key=inchikey=wdbpmrzybzciqe-dzxubonnsa-j}}