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-12852 ==
+== 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:
-** 4&alpha;,14&alpha;-dimethyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol
+** bacteriochlorophyll b
-* smiles:
-** cc(c)=cccc(c)[ch]3(ccc4(c)(c2(cc[ch]1(c(c)c(o)ccc(c)1c=2ccc(c)34))))
-* inchi-key:
-** klzwthglldrkhd-pmiioqglsa-n
 * molecular-weight:
-** 412.698
+** 908.494
 == Reaction(s) known to consume the compound ==
-* [[RXN-11881]]
-* [[RXN21165]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-11876]]
+* [[RXN-17482]]
+* [[RXN-17483]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4&alpha;,14&alpha;-dimethyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol}}
+{{#set: common-name=bacteriochlorophyll b}}
-{{#set: inchi-key=inchikey=klzwthglldrkhd-pmiioqglsa-n}}
+{{#set: molecular-weight=908.494}}
-{{#set: molecular-weight=412.698}}