Difference between revisions of "SJ15828"

Revision as of 14:20, 26 August 2019

common-name:
- 3-oxo-3-phenylpropanoyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(=o)c1(=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:
- nhdpiyiccbknnj-fueukbnzsa-j
molecular-weight:
- 909.648

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15035 CPD-15035] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-514 CPD-514] ==
 * common-name:
-** 4-deoxy-&beta;-d-gluc-4-enuronosyl-2-sulfate-(1,3)-n-acetyl-&beta;-d-galactosamine
+** 3-oxo-3-phenylpropanoyl-coa
 * smiles:
-** cc(=o)nc2(c(oc1(oc(c(=o)[o-])=cc(o)c(os([o-])(=o)=o)1))c(o)c(co)oc(o)2)
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(=o)c1(=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:
-** zeucjyoqjtzlfj-rbcdgzsosa-l
+** nhdpiyiccbknnj-fueukbnzsa-j
 * molecular-weight:
-** 457.362
+** 909.648
 == Reaction(s) known to consume the compound ==
-* [[RXN-14021]]
+* [[RXN-2006]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-deoxy-&beta;-d-gluc-4-enuronosyl-2-sulfate-(1,3)-n-acetyl-&beta;-d-galactosamine}}
+{{#set: common-name=3-oxo-3-phenylpropanoyl-coa}}
-{{#set: inchi-key=inchikey=zeucjyoqjtzlfj-rbcdgzsosa-l}}
+{{#set: inchi-key=inchikey=nhdpiyiccbknnj-fueukbnzsa-j}}
-{{#set: molecular-weight=457.362}}
+{{#set: molecular-weight=909.648}}