Difference between revisions of "CPD-7953"

Revision as of 15:26, 5 January 2021

common-name:
- 3-oxoadipyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(cc(ccc([o-])=o)=o)=o)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:
- vkkkaapgxhwxoo-biewrjsysa-i
molecular-weight:
- 904.605

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15686 ==
+== Metabolite 3-KETO-ADIPYL-COA ==
 * common-name:
-** (3r)-hydroxy- 5-cis, 7-trans-tetradecadienoyl-coa
+** 3-oxoadipyl-coa
 * smiles:
-** ccccccc=cc=ccc(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(cc(ccc([o-])=o)=o)=o)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:
-** zzvzpdqtnsjqpz-voxmgfccsa-j
+** vkkkaapgxhwxoo-biewrjsysa-i
 * molecular-weight:
-** 985.829
+** 904.605
 == Reaction(s) known to consume the compound ==
+* [[RXN0-2044]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-14797]]
+* [[RXN0-2044]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3r)-hydroxy- 5-cis, 7-trans-tetradecadienoyl-coa}}
+{{#set: common-name=3-oxoadipyl-coa}}
-{{#set: inchi-key=inchikey=zzvzpdqtnsjqpz-voxmgfccsa-j}}
+{{#set: inchi-key=inchikey=vkkkaapgxhwxoo-biewrjsysa-i}}
-{{#set: molecular-weight=985.829}}
+{{#set: molecular-weight=904.605}}