Difference between revisions of "CPD1G-771"

Latest revision as of 11:13, 18 March 2021

common-name:
- 6-o-cis-methoxy-mycolyl-trehalose 6-phosphate
smiles:
- ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)cop([o-])(=o)[o-])o)o)o)))=o)c(o)cccccccccccccccccc3(c(ccccccccccccccccc(oc)c(c)cccccccccccccccccc)c3)
inchi-key:
- nysgjfykjqfmrn-zvnwtmltsa-l
molecular-weight:
- 1656.508

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-19071 ==
+== Metabolite CPD1G-771 ==
 * common-name:
-** (25s)-26-oxocholesterol
+** 6-o-cis-methoxy-mycolyl-trehalose 6-phosphate
 * smiles:
-** cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
+** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)cop([o-])(=o)[o-])o)o)o)))=o)c(o)cccccccccccccccccc3(c(ccccccccccccccccc(oc)c(c)cccccccccccccccccc)c3)
 * inchi-key:
-** jugxqejpwdyojv-vicxtrefsa-n
+** nysgjfykjqfmrn-zvnwtmltsa-l
 * molecular-weight:
-** 400.643
+** 1656.508
 == Reaction(s) known to consume the compound ==
-* [[RXN-17654]]
+* [[RXN1G-1436]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17653]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(25s)-26-oxocholesterol}}
+{{#set: common-name=6-o-cis-methoxy-mycolyl-trehalose 6-phosphate}}
-{{#set: inchi-key=inchikey=jugxqejpwdyojv-vicxtrefsa-n}}
+{{#set: inchi-key=inchikey=nysgjfykjqfmrn-zvnwtmltsa-l}}
-{{#set: molecular-weight=400.643}}
+{{#set: molecular-weight=1656.508}}