Difference between revisions of "CPD1G-1354"

Latest revision as of 11:15, 18 March 2021

common-name:
- trehalose-trans-keto-mono-mycolate
smiles:
- ccccccccccccccccccccccccccc(c(=o)occ2(c(o)c(o)c(o)c(oc1(c(o)c(o)c(o)c(co)o1))o2))c(o)ccccccccccccccccc3(cc3c(c)ccccccccccccccccc(=o)c(c)ccccccccccccccccc)
inchi-key:
- zhikieytxxjmog-uqwwgajesa-n
molecular-weight:
- 1590.555

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13700 ==
+== Metabolite CPD1G-1354 ==
 * common-name:
-** 3-oxo-4-pregnene-20-carboxyl-coa
+** trehalose-trans-keto-mono-mycolate
 * smiles:
-** cc(c(=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-])[ch]6(cc[ch]7([ch]5(ccc4(=cc(=o)ccc(c)4[ch]5ccc(c)67))))
+** ccccccccccccccccccccccccccc(c(=o)occ2(c(o)c(o)c(o)c(oc1(c(o)c(o)c(o)c(co)o1))o2))c(o)ccccccccccccccccc3(cc3c(c)ccccccccccccccccc(=o)c(c)ccccccccccccccccc)
 * inchi-key:
-** cjjbducnumwujx-zktjokcmsa-j
+** zhikieytxxjmog-uqwwgajesa-n
 * molecular-weight:
-** 1089.98
+** 1590.555
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-12710]]
+* [[RXN1G-1439]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-4-pregnene-20-carboxyl-coa}}
+{{#set: common-name=trehalose-trans-keto-mono-mycolate}}
-{{#set: inchi-key=inchikey=cjjbducnumwujx-zktjokcmsa-j}}
+{{#set: inchi-key=inchikey=zhikieytxxjmog-uqwwgajesa-n}}
-{{#set: molecular-weight=1089.98}}
+{{#set: molecular-weight=1590.555}}