Difference between revisions of "CPD-13404"

Revision as of 11:12, 15 January 2021

common-name:
- 3-oxo-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa
smiles:
- cccccc=ccc=ccc=ccc=ccc=cccc(=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:
- uiagujimvqpsdp-qojzhlsosa-j
molecular-weight:
- 1118.034

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8973 ==
+== Metabolite CPD-18494 ==
 * common-name:
-** methyl parathion
+** 3-oxo-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa
 * smiles:
-** cop(oc1(=cc=c(c=c1)[n+](=o)[o-]))(oc)=s
+** cccccc=ccc=ccc=ccc=ccc=cccc(=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:
-** rlbiqvvomopohc-uhfffaoysa-n
+** uiagujimvqpsdp-qojzhlsosa-j
 * molecular-weight:
-** 263.204
+** 1118.034
 == Reaction(s) known to consume the compound ==
-* [[RXN-8743]]
+* [[RXN-17116]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=methyl parathion}}
+{{#set: common-name=3-oxo-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa}}
-{{#set: inchi-key=inchikey=rlbiqvvomopohc-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=uiagujimvqpsdp-qojzhlsosa-j}}
-{{#set: molecular-weight=263.204}}
+{{#set: molecular-weight=1118.034}}