Difference between revisions of "CPD-12904"

Latest revision as of 11:14, 18 March 2021

common-name:
- (2e)-5-methylhexa-2,4-dienoyl-coa
smiles:
- cc(c)=cc=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-]
inchi-key:
- ifmyvrqehqtins-meoyllpmsa-j
molecular-weight:
- 871.642

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-DEHYDRO-SHIKIMATE ==
+== Metabolite CPD-12904 ==
 * common-name:
-** 3-dehydroshikimate
+** (2e)-5-methylhexa-2,4-dienoyl-coa
 * smiles:
-** c([o-])(=o)c1(=cc(=o)c(o)c(o)c1)
+** cc(c)=cc=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-]
 * inchi-key:
-** slwwjzmphjjoph-phdidxhhsa-m
+** ifmyvrqehqtins-meoyllpmsa-j
 * molecular-weight:
-** 171.129
+** 871.642
 == Reaction(s) known to consume the compound ==
-* [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]]
+* [[RXN-11919]]
-* [[SHIKIMATE-5-DEHYDROGENASE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]]
-* [[RXN-7968]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-dehydroshikimate}}
+{{#set: common-name=(2e)-5-methylhexa-2,4-dienoyl-coa}}
-{{#set: inchi-key=inchikey=slwwjzmphjjoph-phdidxhhsa-m}}
+{{#set: inchi-key=inchikey=ifmyvrqehqtins-meoyllpmsa-j}}
-{{#set: molecular-weight=171.129}}
+{{#set: molecular-weight=871.642}}