Difference between revisions of "CPD-12777"

Latest revision as of 11:12, 18 March 2021

common-name:
- (3r)-hydroxydecanoyl-coa
smiles:
- cccccccc(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:
- hivsmyzamunfkz-dulmrfqqsa-j
molecular-weight:
- 933.753

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-19171 ==
+== Metabolite CPD-12777 ==
 * common-name:
-** (s)-3-hydroxy-(9z)-octadecenoyl-coa
+** (3r)-hydroxydecanoyl-coa
 * smiles:
-** ccccccccc=ccccccc(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-]
+** cccccccc(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:
-** lhayytcfpmuqnr-dfxypyghsa-j
+** hivsmyzamunfkz-dulmrfqqsa-j
 * molecular-weight:
-** 1043.952
+** 933.753
 == Reaction(s) known to consume the compound ==
-* [[RXN-17777]]
+* [[RXN-14805]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17776]]
+* [[RXN-11797]]
+* [[RXN-14805]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(s)-3-hydroxy-(9z)-octadecenoyl-coa}}
+{{#set: common-name=(3r)-hydroxydecanoyl-coa}}
-{{#set: inchi-key=inchikey=lhayytcfpmuqnr-dfxypyghsa-j}}
+{{#set: inchi-key=inchikey=hivsmyzamunfkz-dulmrfqqsa-j}}
-{{#set: molecular-weight=1043.952}}
+{{#set: molecular-weight=933.753}}