Difference between revisions of "CPD-335"

Revision as of 11:16, 15 January 2021

common-name:
- (3r)-3-hydroxypentanoyl-coa
smiles:
- ccc(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
inchi-key:
- yygypcrwzmlsgk-orumcernsa-j
molecular-weight:
- 863.619

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-DEHYDRO-SHIKIMATE ==
+== Metabolite CPD-13533 ==
 * common-name:
-** 3-dehydroshikimate
+** (3r)-3-hydroxypentanoyl-coa
 * smiles:
-** c([o-])(=o)c1(=cc(=o)c(o)c(o)c1)
+** ccc(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
 * inchi-key:
-** slwwjzmphjjoph-phdidxhhsa-m
+** yygypcrwzmlsgk-orumcernsa-j
 * molecular-weight:
-** 171.129
+** 863.619
 == Reaction(s) known to consume the compound ==
-* [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]]
+* [[RXN-12560]]
-* [[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=(3r)-3-hydroxypentanoyl-coa}}
-{{#set: inchi-key=inchikey=slwwjzmphjjoph-phdidxhhsa-m}}
+{{#set: inchi-key=inchikey=yygypcrwzmlsgk-orumcernsa-j}}
-{{#set: molecular-weight=171.129}}
+{{#set: molecular-weight=863.619}}