Difference between revisions of "CDP"

Revision as of 13:09, 14 January 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa
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)
inchi-key:
- wdbpmrzybzciqe-dzxubonnsa-j
molecular-weight:
- 1037.905

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE ==
+== Metabolite CPD-11518 ==
 * common-name:
-** cis-dienelactone
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa
 * smiles:
-** c1(=cc(=o)oc(=cc(=o)[o-])1)
+** 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)
 * inchi-key:
-** ayfxpgxazmfwnh-arjawskdsa-m
+** wdbpmrzybzciqe-dzxubonnsa-j
 * molecular-weight:
-** 139.087
+** 1037.905
 == Reaction(s) known to consume the compound ==
-* [[CARBOXYMETHYLENEBUTENOLIDASE-RXN]]
+* [[RXN-10697]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-10696]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=cis-dienelactone}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa}}
-{{#set: inchi-key=inchikey=ayfxpgxazmfwnh-arjawskdsa-m}}
+{{#set: inchi-key=inchikey=wdbpmrzybzciqe-dzxubonnsa-j}}
-{{#set: molecular-weight=139.087}}
+{{#set: molecular-weight=1037.905}}