Difference between revisions of "CPD-667"

Revision as of 15:24, 5 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-8610 ==
+== Metabolite CPD-18494 ==
 * common-name:
-** 4,4-dimethyl-5&alpha;-cholesta-8-en-3-&beta;-ol
+** 3-oxo-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa
 * smiles:
-** cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)c(c)(c)c(o)cc3)))cc4)))c
+** 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:
-** fyhrvinoxyetmn-qgbojxoesa-n
+** uiagujimvqpsdp-qojzhlsosa-j
 * molecular-weight:
-** 414.713
+** 1118.034
 == Reaction(s) known to consume the compound ==
+* [[RXN-17116]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-14]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4,4-dimethyl-5&alpha;-cholesta-8-en-3-&beta;-ol}}
+{{#set: common-name=3-oxo-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa}}
-{{#set: inchi-key=inchikey=fyhrvinoxyetmn-qgbojxoesa-n}}
+{{#set: inchi-key=inchikey=uiagujimvqpsdp-qojzhlsosa-j}}
-{{#set: molecular-weight=414.713}}
+{{#set: molecular-weight=1118.034}}