Difference between revisions of "CPD1G-774"

Latest revision as of 11:13, 18 March 2021

common-name:
- 6-o-trans-keto-mycolyl-trehalose 6-phosphate
smiles:
- ccccccccccccccccccccccccccc(c(=o)occ2(c(o)c(o)c(o)c(oc1(c(o)c(o)c(o)c(cop(=o)([o-])[o-])o1))o2))c(o)ccccccccccccccccc3(cc3c(c)ccccccccccccccccc(=o)c(c)ccccccccccccccccc)
inchi-key:
- wftjpliccfeydd-uqwwgajesa-l
molecular-weight:
- 1668.519

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17049 ==
+== Metabolite CPD1G-774 ==
 * common-name:
-** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
+** 6-o-trans-keto-mycolyl-trehalose 6-phosphate
 * smiles:
-** c(o)c2(s)(nc(=o)c(s)(cc1(=cc=cc=c1))nc(=o)2)
+** ccccccccccccccccccccccccccc(c(=o)occ2(c(o)c(o)c(o)c(oc1(c(o)c(o)c(o)c(cop(=o)([o-])[o-])o1))o2))c(o)ccccccccccccccccc3(cc3c(c)ccccccccccccccccc(=o)c(c)ccccccccccccccccc)
 * inchi-key:
-** vzgsjjjqzptkgr-vxgbxaggsa-n
+** wftjpliccfeydd-uqwwgajesa-l
 * molecular-weight:
-** 298.374
+** 1668.519
 == Reaction(s) known to consume the compound ==
-* [[RXN-15684]]
+* [[RXN1G-1439]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine}}
+{{#set: common-name=6-o-trans-keto-mycolyl-trehalose 6-phosphate}}
-{{#set: inchi-key=inchikey=vzgsjjjqzptkgr-vxgbxaggsa-n}}
+{{#set: inchi-key=inchikey=wftjpliccfeydd-uqwwgajesa-l}}
-{{#set: molecular-weight=298.374}}
+{{#set: molecular-weight=1668.519}}