Difference between revisions of "CPD-9090"

Revision as of 15:25, 5 January 2021

common-name:
- 3-oxo-3-phenylpropanoyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(=o)c1(=cc=cc=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
inchi-key:
- nhdpiyiccbknnj-fueukbnzsa-j
molecular-weight:
- 909.648

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9090 ==
+== Metabolite CPD-514 ==
+* common-name:
+** 3-oxo-3-phenylpropanoyl-coa
 * smiles:
-** ccc5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)occ=c(c)cccc(c)cccc(c)ccc=c(c)c)c=1c4([c-](c(oc)=o)c(=o)c3(=c(c)c(n2c3=4)=cc5=6)))=cc8(=c(c)c(c(c)=o)=c(n78)c=9))))))
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(=o)c1(=cc=cc=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
-* common-name:
+* inchi-key:
-** phyta-2,14-dienyl bacteriochlorophyllide a
+** nhdpiyiccbknnj-fueukbnzsa-j
 * molecular-weight:
-** 908.494
+** 909.648
 == Reaction(s) known to consume the compound ==
-* [[RXN-8790]]
+* [[RXN-2006]]
-* [[RXN-8791]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-8790]]
-* [[RXN-8791]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=phyta-2,14-dienyl bacteriochlorophyllide a}}
+{{#set: common-name=3-oxo-3-phenylpropanoyl-coa}}
-{{#set: molecular-weight=908.494}}
+{{#set: inchi-key=inchikey=nhdpiyiccbknnj-fueukbnzsa-j}}
+{{#set: molecular-weight=909.648}}