Difference between revisions of "CPD-9091"

Latest revision as of 11:15, 18 March 2021

smiles:
- cc=c5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)occ=c(c)cccc(c)cccc(c)cccc(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))))))
common-name:
- bacteriochlorophyll b
molecular-weight:
- 908.494

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9925 ==
+== Metabolite CPD-9091 ==
+* smiles:
+** cc=c5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)occ=c(c)cccc(c)cccc(c)cccc(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))))))
 * common-name:
-** 1,4-dihydroxy-2-naphthoyl-coa
+** bacteriochlorophyll b
-* smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(c2(c=c(o)c1(=cc=cc=c1c(o)=2)))=o)cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
-* inchi-key:
-** pytinlgpkdjurz-hsjnekgzsa-j
 * molecular-weight:
-** 949.669
+** 908.494
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[NAPHTHOATE-SYN-RXN]]
+* [[RXN-17482]]
+* [[RXN-17483]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1,4-dihydroxy-2-naphthoyl-coa}}
+{{#set: common-name=bacteriochlorophyll b}}
-{{#set: inchi-key=inchikey=pytinlgpkdjurz-hsjnekgzsa-j}}
+{{#set: molecular-weight=908.494}}
-{{#set: molecular-weight=949.669}}