Difference between revisions of "SJ16080"

Revision as of 14:19, 26 August 2019

common-name:
- itaconyl-coa
smiles:
- c=c(cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)c([o-])=o
inchi-key:
- nfvgylgssjprkw-citakdkdsa-i
molecular-weight:
- 874.579

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZALDEHYDE BENZALDEHYDE] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1137 CPD-1137] ==
 * common-name:
-** benzaldehyde
+** itaconyl-coa
 * smiles:
-** c(=o)c1(=cc=cc=c1)
+** c=c(cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o)c([o-])=o
 * inchi-key:
-** humnylrzrppjdn-uhfffaoysa-n
+** nfvgylgssjprkw-citakdkdsa-i
 * molecular-weight:
-** 106.124
+** 874.579
 == Reaction(s) known to consume the compound ==
-* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
+* [[RXN-8988]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=benzaldehyde}}
+{{#set: common-name=itaconyl-coa}}
-{{#set: inchi-key=inchikey=humnylrzrppjdn-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=nfvgylgssjprkw-citakdkdsa-i}}
-{{#set: molecular-weight=106.124}}
+{{#set: molecular-weight=874.579}}