Difference between revisions of "CPD-18312"

Latest revision as of 11:13, 18 March 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11518 ==
+== Metabolite CPD-18312 ==
 * common-name:
-** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa
+** n-3-fumaramoyl-l-2,3-diaminopropanoate
 * 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)
+** c([o-])(=o)c=cc(=o)ncc([n+])c(n)=o
 * inchi-key:
-** wdbpmrzybzciqe-dzxubonnsa-j
+** ujvdeptvvyupmx-qphdtyrisa-n
 * molecular-weight:
-** 1037.905
+** 201.182
 == Reaction(s) known to consume the compound ==
-* [[RXN-10697]]
+* [[RXN-16291]]
+* [[RXN-16292]]
+* [[RXN-16293]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10696]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa}}
+{{#set: common-name=n-3-fumaramoyl-l-2,3-diaminopropanoate}}
-{{#set: inchi-key=inchikey=wdbpmrzybzciqe-dzxubonnsa-j}}
+{{#set: inchi-key=inchikey=ujvdeptvvyupmx-qphdtyrisa-n}}
-{{#set: molecular-weight=1037.905}}
+{{#set: molecular-weight=201.182}}