Difference between revisions of "S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE"

Revision as of 11:14, 15 January 2021

common-name:
- 14-oxolanosterol
smiles:
- cc(c)=cccc([ch]1(c2(c)(c(c=o)(cc1)c4(=c(cc2)c3([ch](c(c)(c)c(o)cc3)cc4)(c)))))c
inchi-key:
- pggimliqohyfis-puxrvuthsa-n
molecular-weight:
- 440.708

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite HOMO-I-CIT ==
+== Metabolite CPD-4573 ==
 * common-name:
-** (1r,2s)-homoisocitrate
+** 14-oxolanosterol
 * smiles:
-** c(cc(=o)[o-])c(c(=o)[o-])c(o)c(=o)[o-]
+** cc(c)=cccc([ch]1(c2(c)(c(c=o)(cc1)c4(=c(cc2)c3([ch](c(c)(c)c(o)cc3)cc4)(c)))))c
 * inchi-key:
-** oejzzcgrgvfwhk-wvzvxsggsa-k
+** pggimliqohyfis-puxrvuthsa-n
 * molecular-weight:
-** 203.128
+** 440.708
 == Reaction(s) known to consume the compound ==
-* [[HOMOACONITATE-HYDRATASE-RXN]]
+* [[RXN66-305]]
-* [[RXN-13722]]
 == Reaction(s) known to produce the compound ==
-* [[HOMOACONITATE-HYDRATASE-RXN]]
+* [[RXN66-304]]
-* [[RXN-13722]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(1r,2s)-homoisocitrate}}
+{{#set: common-name=14-oxolanosterol}}
-{{#set: inchi-key=inchikey=oejzzcgrgvfwhk-wvzvxsggsa-k}}
+{{#set: inchi-key=inchikey=pggimliqohyfis-puxrvuthsa-n}}
-{{#set: molecular-weight=203.128}}
+{{#set: molecular-weight=440.708}}