Difference between revisions of "CPD-15687"

Latest revision as of 11:14, 18 March 2021

common-name:
- 5-cis, 7-trans-3-oxo-tetradecadienoyl-coa
smiles:
- ccccccc=cc=ccc(=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-]
inchi-key:
- njxbfcfhvuiemz-qtjplklfsa-j
molecular-weight:
- 983.813

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD1F-140 ==
+== Metabolite CPD-15687 ==
 * common-name:
-** gibberellin a20
+** 5-cis, 7-trans-3-oxo-tetradecadienoyl-coa
 * smiles:
-** c=c1(c3(o)(cc4(c1)(c([ch]5(c2(c(=o)oc(ccc2)([ch](cc3)4)5)(c)))c([o-])=o)))
+** ccccccc=cc=ccc(=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-]
 * inchi-key:
-** oxfpycsnyofuch-aodvqfrnsa-m
+** njxbfcfhvuiemz-qtjplklfsa-j
 * molecular-weight:
-** 331.388
+** 983.813
 == Reaction(s) known to consume the compound ==
-* [[RXN-113]]
+* [[RXN-14799]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=gibberellin a20}}
+{{#set: common-name=5-cis, 7-trans-3-oxo-tetradecadienoyl-coa}}
-{{#set: inchi-key=inchikey=oxfpycsnyofuch-aodvqfrnsa-m}}
+{{#set: inchi-key=inchikey=njxbfcfhvuiemz-qtjplklfsa-j}}
-{{#set: molecular-weight=331.388}}
+{{#set: molecular-weight=983.813}}