Difference between revisions of "4-METHYLCATECHOL"

Revision as of 08:28, 15 March 2021

common-name:
- (s)-3-hydroxy-(9z)-hexadecenoyl-coa
smiles:
- ccccccc=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-]
inchi-key:
- zirsqpaphgzdil-vscxgisksa-j
molecular-weight:
- 1015.898

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-14419 ==
+== Metabolite CPD-19155 ==
 * common-name:
-** 3r-hydroxy-icosatrienoyl-coa
+** (s)-3-hydroxy-(9z)-hexadecenoyl-coa
 * smiles:
-** ccc=ccc=ccc=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-]
+** ccccccc=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-]
 * inchi-key:
-** aukmttjfpkefdq-ivictrqzsa-j
+** zirsqpaphgzdil-vscxgisksa-j
 * molecular-weight:
-** 1067.974
+** 1015.898
 == Reaction(s) known to consume the compound ==
-* [[RXN-13001]]
+* [[RXN-17790]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12994]]
+* [[RXN-17789]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3r-hydroxy-icosatrienoyl-coa}}
+{{#set: common-name=(s)-3-hydroxy-(9z)-hexadecenoyl-coa}}
-{{#set: inchi-key=inchikey=aukmttjfpkefdq-ivictrqzsa-j}}
+{{#set: inchi-key=inchikey=zirsqpaphgzdil-vscxgisksa-j}}
-{{#set: molecular-weight=1067.974}}
+{{#set: molecular-weight=1015.898}}