Difference between revisions of "CPD-207"

Latest revision as of 11:17, 18 March 2021

common-name:
- phenylacetyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc1(c=cc=cc=1))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:
- zigifdrjfzyeeq-cecatxlmsa-j
molecular-weight:
- 881.637

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-14404 ==
+== Metabolite CPD-207 ==
 * common-name:
-** 3-oxo-dihomo &gamma;-linolenoyl-coa
+** phenylacetyl-coa
 * smiles:
-** cccccc=ccc=ccc=cccccc(=o)cc(=o)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-]
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc1(c=cc=cc=1))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:
-** djfxnrbquufios-ddquopdjsa-j
+** zigifdrjfzyeeq-cecatxlmsa-j
 * molecular-weight:
-** 1065.958
+** 881.637
 == Reaction(s) known to consume the compound ==
-* [[RXN-12968]]
+* [[RXN-10821]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12777]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-dihomo &gamma;-linolenoyl-coa}}
+{{#set: common-name=phenylacetyl-coa}}
-{{#set: inchi-key=inchikey=djfxnrbquufios-ddquopdjsa-j}}
+{{#set: inchi-key=inchikey=zigifdrjfzyeeq-cecatxlmsa-j}}
-{{#set: molecular-weight=1065.958}}
+{{#set: molecular-weight=881.637}}