Difference between revisions of "CPD-14553"

Revision as of 14:57, 5 January 2021

common-name:
- 3-oxo-(11z)-eicos-11-enoyl-coa
smiles:
- ccccccccc=ccccccccc(=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-]
inchi-key:
- askkpqkscfyppp-fvldfciysa-j
molecular-weight:
- 1069.99

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CROTONYL-COA ==
+== Metabolite CPD-14300 ==
 * common-name:
-** crotonyl-coa
+** 3-oxo-(11z)-eicos-11-enoyl-coa
 * smiles:
-** cc=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
+** ccccccccc=ccccccccc(=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-]
 * inchi-key:
-** kfwwcmjsysspsk-bogfjhsmsa-j
+** askkpqkscfyppp-fvldfciysa-j
 * molecular-weight:
-** 831.577
+** 1069.99
 == Reaction(s) known to consume the compound ==
-* [[ACOAD1f]]
+* [[RXN-14484]]
-* [[ACOAR1h]]
-* [[BUTYRYL-COA-DEHYDROGENASE-RXN]]
-* [[GLUTACONYL-COA-DECARBOXYLASE-RXN]]
-* [[GLUTARYL-COA-DEHYDROGENASE-RXN]]
-* [[HBCHL]]
-* [[HBCHLm]]
-* [[RXN-11667]]
-* [[RXN-12558]]
 == Reaction(s) known to produce the compound ==
-* [[ACOA40OR]]
+* [[RXN-13322]]
-* [[ACOAD1f]]
-* [[GLUTACONYL-COA-DECARBOXYLASE-RXN]]
-* [[GLUTARYL-COA-DEHYDROGENASE-RXN]]
-* [[HBCHL]]
-* [[HBCHLm]]
-* [[RXN-11667]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=crotonyl-coa}}
+{{#set: common-name=3-oxo-(11z)-eicos-11-enoyl-coa}}
-{{#set: inchi-key=inchikey=kfwwcmjsysspsk-bogfjhsmsa-j}}
+{{#set: inchi-key=inchikey=askkpqkscfyppp-fvldfciysa-j}}
-{{#set: molecular-weight=831.577}}
+{{#set: molecular-weight=1069.99}}