Difference between revisions of "CPD-12928"

Latest revision as of 11:16, 18 March 2021

common-name:
- 4α-carboxy-5α-cholesta-7,24-dien-3β-ol
inchi-key:
- bwhpoozligphhl-qpcstclvsa-m
molecular-weight:
- 427.646
smiles:
- cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@h]4(c1([c@@h]([c@]2(cc[c@h](o)[c@@h](c([o-])=o)[c@h](cc=1)2)(c))cc[c@](c)34)))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7013 ==
+== Metabolite CPD-12928 ==
-* smiles:
-** c=cc2(c(c)=c4(c=c9(c(c)c(ccc(=o)occ=c(c)ccc=c(c)ccc=c(c)ccc=c(c)c)c5(=n([mg]36(n1(=c(c(cc)=c([ch]=o)c1=cc=2n34)c=c7(c(c)=c8(c(=o)c(c(oc)=o)c5=c(n67)8)))))9))))
 * common-name:
-** geranylgeranyl chlorophyll b
+** 4&alpha;-carboxy-5&alpha;-cholesta-7,24-dien-3&beta;-ol
+* inchi-key:
+** bwhpoozligphhl-qpcstclvsa-m
 * molecular-weight:
-** 901.439
+** 427.646
+* smiles:
+** cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@h]4(c1([c@@h]([c@]2(cc[c@h](o)[c@@h](c([o-])=o)[c@h](cc=1)2)(c))cc[c@](c)34)))
 == Reaction(s) known to consume the compound ==
-* [[RXN-7673]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-7673]]
+* [[RXN-21835]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=geranylgeranyl chlorophyll b}}
+{{#set: common-name=4&alpha;-carboxy-5&alpha;-cholesta-7,24-dien-3&beta;-ol}}
-{{#set: molecular-weight=901.439}}
+{{#set: inchi-key=inchikey=bwhpoozligphhl-qpcstclvsa-m}}
+{{#set: molecular-weight=427.646}}