Difference between revisions of "ISOPENICILLIN-N"

Revision as of 18:55, 14 January 2021

common-name:
- 3-oxo-lesqueroloyl-coa
smiles:
- ccccccc(o)cc=ccccccccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o
inchi-key:
- nqxrrzbozbkgiu-mhaufedzsa-j
molecular-weight:
- 1085.989

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-18312 ==
+== Metabolite CPD-15368 ==
 * common-name:
-** n-3-fumaramoyl-l-2,3-diaminopropanoate
+** 3-oxo-lesqueroloyl-coa
 * smiles:
-** c([o-])(=o)c=cc(=o)ncc([n+])c(n)=o
+** ccccccc(o)cc=ccccccccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o
 * inchi-key:
-** ujvdeptvvyupmx-qphdtyrisa-n
+** nqxrrzbozbkgiu-mhaufedzsa-j
 * molecular-weight:
-** 201.182
+** 1085.989
 == Reaction(s) known to consume the compound ==
-* [[RXN-16291]]
+* [[RXN-14493]]
-* [[RXN-16292]]
-* [[RXN-16293]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-14492]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=n-3-fumaramoyl-l-2,3-diaminopropanoate}}
+{{#set: common-name=3-oxo-lesqueroloyl-coa}}
-{{#set: inchi-key=inchikey=ujvdeptvvyupmx-qphdtyrisa-n}}
+{{#set: inchi-key=inchikey=nqxrrzbozbkgiu-mhaufedzsa-j}}
-{{#set: molecular-weight=201.182}}
+{{#set: molecular-weight=1085.989}}