Difference between revisions of "CPD-12199"

Latest revision as of 11:12, 18 March 2021

common-name:
- 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)c=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
inchi-key:
- vddfxumtxcqmfm-ugdqnksbsa-j
molecular-weight:
- 927.663

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD1G-1346 ==
+== Metabolite CPD-12199 ==
 * common-name:
-** trehalose-trans-methoxy-mono-mycolate
+** 3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa
 * smiles:
-** ccccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccc3(cc3c(c)cccccccccccccccc(oc)c(c)cccccccccccccccccc)
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(=cc=c(o)c=c1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
 * inchi-key:
-** amromufvhnpoeq-bzzonohysa-n
+** vddfxumtxcqmfm-ugdqnksbsa-j
 * molecular-weight:
-** 1592.571
+** 927.663
 == Reaction(s) known to consume the compound ==
+* [[RXN-11245]]
 == Reaction(s) known to produce the compound ==
-* [[RXN1G-1437]]
+* [[RXN-11244]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=trehalose-trans-methoxy-mono-mycolate}}
+{{#set: common-name=3s-(4-hydroxyphenyl)-3-hydroxy-propanoyl-coa}}
-{{#set: inchi-key=inchikey=amromufvhnpoeq-bzzonohysa-n}}
+{{#set: inchi-key=inchikey=vddfxumtxcqmfm-ugdqnksbsa-j}}
-{{#set: molecular-weight=1592.571}}
+{{#set: molecular-weight=927.663}}