Difference between revisions of "1-7-DIMETHYLXANTHINE"

Revision as of 13:07, 14 January 2021

common-name:
- trans-2,3-dehydroadipyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(c=cccc(=o)[o-])=o)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-]
inchi-key:
- zfxickrxpztfpb-kcqrsjhasa-i
molecular-weight:
- 888.606

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-12906 ==
+== Metabolite TRANS-23-DEHYDROADIPYL-COA ==
 * common-name:
-** 5-methyl-3-oxo-4-hexenoyl-coa
+** trans-2,3-dehydroadipyl-coa
 * smiles:
-** cc(c)=cc(=o)cc(=o)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-]
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(c=cccc(=o)[o-])=o)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-]
 * inchi-key:
-** zfkzvsujtdsjey-svhodsnwsa-j
+** zfxickrxpztfpb-kcqrsjhasa-i
 * molecular-weight:
-** 887.641
+** 888.606
 == Reaction(s) known to consume the compound ==
-* [[RXN-11921]]
+* [[RXN-2425]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-2425]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=5-methyl-3-oxo-4-hexenoyl-coa}}
+{{#set: common-name=trans-2,3-dehydroadipyl-coa}}
-{{#set: inchi-key=inchikey=zfkzvsujtdsjey-svhodsnwsa-j}}
+{{#set: inchi-key=inchikey=zfxickrxpztfpb-kcqrsjhasa-i}}
-{{#set: molecular-weight=887.641}}
+{{#set: molecular-weight=888.606}}