Difference between revisions of "ACRYLATE"

Revision as of 14:55, 5 January 2021

common-name:
- pimeloyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(cccccc([o-])=o)=o)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-]
inchi-key:
- lycrxmtyuzduga-uyrkptjqsa-i
molecular-weight:
- 904.649

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CINNAMOYL-COA ==
+== Metabolite CPD-558 ==
 * common-name:
-** (e)-cinnamoyl-coa
+** pimeloyl-coa
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c=cc1(=cc=cc=c1))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-]
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(cccccc([o-])=o)=o)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-]
 * inchi-key:
-** jvnvhnhitfvwix-kzkudurgsa-j
+** lycrxmtyuzduga-uyrkptjqsa-i
 * molecular-weight:
-** 893.648
+** 904.649
 == Reaction(s) known to consume the compound ==
-* [[RXN-7645]]
+* [[7KAPSYN-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-2001]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(e)-cinnamoyl-coa}}
+{{#set: common-name=pimeloyl-coa}}
-{{#set: inchi-key=inchikey=jvnvhnhitfvwix-kzkudurgsa-j}}
+{{#set: inchi-key=inchikey=lycrxmtyuzduga-uyrkptjqsa-i}}
-{{#set: molecular-weight=893.648}}
+{{#set: molecular-weight=904.649}}