Difference between revisions of "CPD-8620"

Latest revision as of 11:11, 18 March 2021

common-name:
- 5α-cholesta-8-en-3-one
smiles:
- cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)cc(=o)cc3)))cc4)))c
inchi-key:
- rzsxshnnqbiptl-zsbatxslsa-n
molecular-weight:
- 384.644

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD1G-768 ==
+== Metabolite CPD-8620 ==
 * common-name:
-** 6-o-&alpha;-mycolyl-trehalose 6-phosphate
+** 5&alpha;-cholesta-8-en-3-one
 * smiles:
-** ccccccccccccccccccccccccccc(c(o)cccccccccccccccc2(cc(ccccccccccc1(cc(cccccccccccccccccc)1))2))c(=o)occ3(oc(c(c(c3o)o)o)oc4(c(c(c(c(o4)cop([o-])(=o)[o-])o)o)o))
+** cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)cc(=o)cc3)))cc4)))c
 * inchi-key:
-** gxobndajnvberi-bgzciimlsa-l
+** rzsxshnnqbiptl-zsbatxslsa-n
 * molecular-weight:
-** 1540.305
+** 384.644
 == Reaction(s) known to consume the compound ==
-* [[RXN1G-1435]]
+* [[RXN66-24]]
 == Reaction(s) known to produce the compound ==
+* [[RXN66-23]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=6-o-&alpha;-mycolyl-trehalose 6-phosphate}}
+{{#set: common-name=5&alpha;-cholesta-8-en-3-one}}
-{{#set: inchi-key=inchikey=gxobndajnvberi-bgzciimlsa-l}}
+{{#set: inchi-key=inchikey=rzsxshnnqbiptl-zsbatxslsa-n}}
-{{#set: molecular-weight=1540.305}}
+{{#set: molecular-weight=384.644}}