Difference between revisions of "CPD1G-1345"

Latest revision as of 11:14, 18 March 2021

common-name:
- trehalose-cis-methoxy-mono-mycolate
smiles:
- ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccccc3(c(ccccccccccccccccc(oc)c(c)cccccccccccccccccc)c3)
inchi-key:
- brqkyadgwzgfar-zvnwtmltsa-n
molecular-weight:
- 1578.544

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA ==
+== Metabolite CPD1G-1345 ==
 * common-name:
-** 2-carboxymethyl-3-hydroxyphenylpropanoyl-coa
+** trehalose-cis-methoxy-mono-mycolate
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(c(cc([o-])=o)c(o)c1(=cc=cc=c1))=o)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-]
+** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccccc3(c(ccccccccccccccccc(oc)c(c)cccccccccccccccccc)c3)
 * inchi-key:
-** dvsqfplmolprdu-acxvelpgsa-i
+** brqkyadgwzgfar-zvnwtmltsa-n
 * molecular-weight:
-** 968.692
+** 1578.544
 == Reaction(s) known to consume the compound ==
-* [[RXN-905]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-902]]
+* [[RXN1G-1436]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-carboxymethyl-3-hydroxyphenylpropanoyl-coa}}
+{{#set: common-name=trehalose-cis-methoxy-mono-mycolate}}
-{{#set: inchi-key=inchikey=dvsqfplmolprdu-acxvelpgsa-i}}
+{{#set: inchi-key=inchikey=brqkyadgwzgfar-zvnwtmltsa-n}}
-{{#set: molecular-weight=968.692}}
+{{#set: molecular-weight=1578.544}}