Difference between revisions of "CPD-19157"

Revision as of 18:54, 14 January 2021

common-name:
- (e)-cinnamoyl-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-]
inchi-key:
- jvnvhnhitfvwix-kzkudurgsa-j
molecular-weight:
- 893.648

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD0-2232 ==
+== Metabolite CINNAMOYL-COA ==
 * common-name:
-** (s)-3-hydroxyhexadecanoyl-coa
+** (e)-cinnamoyl-coa
 * smiles:
-** cccccccccccccc(cc(sccnc(ccnc(c(c(cop(=o)([o-])op(occ1(oc(c(c1op([o-])([o-])=o)o)n3(c=nc2(c(=nc=nc=23)n))))([o-])=o)(c)c)o)=o)=o)=o)o
+** 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-]
 * inchi-key:
-** dehlmtddpwdrdr-qqojfmbssa-j
+** jvnvhnhitfvwix-kzkudurgsa-j
 * molecular-weight:
-** 1017.914
+** 893.648
 == Reaction(s) known to consume the compound ==
-* [[ECOAH7h]]
+* [[RXN-7645]]
-* [[HACD7h]]
-* [[RXN-14271]]
 == Reaction(s) known to produce the compound ==
-* [[ECOAH7h]]
+* [[RXN-2001]]
-* [[HACD7h]]
-* [[RXN-14271]]
-* [[RXN-14272]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(s)-3-hydroxyhexadecanoyl-coa}}
+{{#set: common-name=(e)-cinnamoyl-coa}}
-{{#set: inchi-key=inchikey=dehlmtddpwdrdr-qqojfmbssa-j}}
+{{#set: inchi-key=inchikey=jvnvhnhitfvwix-kzkudurgsa-j}}
-{{#set: molecular-weight=1017.914}}
+{{#set: molecular-weight=893.648}}