Difference between revisions of "CAFFEOYL-COA"

Latest revision as of 11:17, 18 March 2021

common-name:
- trans-caffeoyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c=cc1(=cc=c(o)c(=c1)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:
- qhrgjmimhclhrg-zseliehesa-j
molecular-weight:
- 925.647

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-674 ==
+== Metabolite CAFFEOYL-COA ==
 * common-name:
-** trans-cinnamate
+** trans-caffeoyl-coa
 * smiles:
-** c(=o)([o-])c=cc1(=cc=cc=c1)
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c=cc1(=cc=c(o)c(=c1)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:
-** wbywaxjhaxsjni-votsokgwsa-m
+** qhrgjmimhclhrg-zseliehesa-j
 * molecular-weight:
-** 147.153
+** 925.647
 == Reaction(s) known to consume the compound ==
-* [[RXN-2001]]
+* [[CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN]]
-* [[TRANS-CINNAMATE-4-MONOOXYGENASE-RXN]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-1126]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=trans-cinnamate}}
+{{#set: common-name=trans-caffeoyl-coa}}
-{{#set: inchi-key=inchikey=wbywaxjhaxsjni-votsokgwsa-m}}
+{{#set: inchi-key=inchikey=qhrgjmimhclhrg-zseliehesa-j}}
-{{#set: molecular-weight=147.153}}
+{{#set: molecular-weight=925.647}}