Difference between revisions of "CPD-196"

Latest revision as of 11:16, 18 March 2021

common-name:
- octanoyl-coa
smiles:
- cccccccc(=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:
- kqmzyoxobsxmii-cecatxlmsa-j
molecular-weight:
- 889.7

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-HYDROXYADIPYL-COA ==
+== Metabolite CPD-196 ==
 * common-name:
-** (3s)-hydroxyadipyl-coa
+** octanoyl-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-]
+** cccccccc(=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:
-** oteacgaedcimbs-notshufbsa-i
+** kqmzyoxobsxmii-cecatxlmsa-j
 * molecular-weight:
-** 906.621
+** 889.7
 == Reaction(s) known to consume the compound ==
-* [[RXN-2425]]
+* [[3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.]]
-* [[RXN0-2044]]
+* [[ACACT4]]
+* [[ACACT4h]]
+* [[ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.]]
+* [[ACOA80OR]]
+* [[RXN-12669]]
+* [[RXN-14229]]
+* [[THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-2425]]
+* [[ACACT4]]
-* [[RXN0-2044]]
+* [[R223-RXN]]
+* [[RXN-13617]]
+* [[RXN-14229]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3s)-hydroxyadipyl-coa}}
+{{#set: common-name=octanoyl-coa}}
-{{#set: inchi-key=inchikey=oteacgaedcimbs-notshufbsa-i}}
+{{#set: inchi-key=inchikey=kqmzyoxobsxmii-cecatxlmsa-j}}
-{{#set: molecular-weight=906.621}}
+{{#set: molecular-weight=889.7}}