Difference between revisions of "SJ03341"

Revision as of 14:19, 26 August 2019

common-name:
- benzoylsuccinyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(c(=o)c1(=cc=cc=c1))cc(=o)[o-])cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
inchi-key:
- sgnpjinsckfitg-ihebcorqsa-i
molecular-weight:
- 966.676

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-39 CPDQT-39] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOYLSUCCINYL-COA BENZOYLSUCCINYL-COA] ==
 * common-name:
-** 3-[(6'-methylthio)hexyl]malate
+** benzoylsuccinyl-coa
 * smiles:
-** csccccccc(c(o)c(=o)[o-])c(=o)[o-]
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(c(=o)c1(=cc=cc=c1))cc(=o)[o-])cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
 * inchi-key:
-** lqqzhlhcfscjcu-uhfffaoysa-l
+** sgnpjinsckfitg-ihebcorqsa-i
 * molecular-weight:
-** 262.32
+** 966.676
 == Reaction(s) known to consume the compound ==
-* [[RXN-18202]]
-* [[RXNQT-4174]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-18202]]
+* [[RXN-905]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-[(6'-methylthio)hexyl]malate}}
+{{#set: common-name=benzoylsuccinyl-coa}}
-{{#set: inchi-key=inchikey=lqqzhlhcfscjcu-uhfffaoysa-l}}
+{{#set: inchi-key=inchikey=sgnpjinsckfitg-ihebcorqsa-i}}
-{{#set: molecular-weight=262.32}}
+{{#set: molecular-weight=966.676}}