Difference between revisions of "SJ08324"

Revision as of 14:20, 26 August 2019

common-name:
- 6-oxocampestanol
smiles:
- cc(c)c(c)ccc(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
inchi-key:
- nbjzgnfizzwboj-jshjxqbasa-n
molecular-weight:
- 416.686

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-713 CPD-713] ==
 * common-name:
-** 4-(2'-carboxyphenyl)-4-oxobutyryl-coa
+** 6-oxocampestanol
 * smiles:
-** cc(cop([o-])(=o)op([o-])(=o)occ3(c(c(c(n2(c=nc1(c(=nc=nc=12)n)))o3)o)op([o-])(=o)[o-]))(c)c(c(nccc(nccsc(ccc(c4(c=cc=cc(c([o-])=o)=4))=o)=o)=o)=o)o
+** cc(c)c(c)ccc(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** kvaqapqxoxtrae-uhfffaoysa-i
+** nbjzgnfizzwboj-jshjxqbasa-n
 * molecular-weight:
-** 966.676
+** 416.686
 == Reaction(s) known to consume the compound ==
-* [[NAPHTHOATE-SYN-RXN]]
+* [[RXN-715]]
 == Reaction(s) known to produce the compound ==
-* [[NPHS]]
-* [[O-SUCCINYLBENZOATE-COA-LIG-RXN]]
-* [[RXN-7614]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-(2'-carboxyphenyl)-4-oxobutyryl-coa}}
+{{#set: common-name=6-oxocampestanol}}
-{{#set: inchi-key=inchikey=kvaqapqxoxtrae-uhfffaoysa-i}}
+{{#set: inchi-key=inchikey=nbjzgnfizzwboj-jshjxqbasa-n}}
-{{#set: molecular-weight=966.676}}
+{{#set: molecular-weight=416.686}}