Difference between revisions of "SULFO-CYSTEINE"

Revision as of 19:02, 17 March 2021

common-name:
- trehalose-cis-keto-mono-mycolate
molecular-weight:
- 1590.555
inchi-key:
- wpvqftorcfmmcp-wbsumzshsa-n
smiles:
- ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccccccc3(cc(ccccccccccccccccc(=o)c(cccccccccccccccccc)c)3)

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11521 ==
+== Metabolite CPD1G-1353 ==
 * common-name:
-** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-hexanoyl-coa
+** trehalose-cis-keto-mono-mycolate
 * molecular-weight:
-** 1011.867
+** 1590.555
 * inchi-key:
-** vwfuyqvgvaevnh-wzglbkmisa-j
+** wpvqftorcfmmcp-wbsumzshsa-n
 * smiles:
-** ccc=ccc1(c(ccc(=o)1)cccccc(sccnc(=o)ccnc(=o)c(o)c(c)(c)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-])=o)
+** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccccccc3(cc(ccccccccccccccccc(=o)c(cccccccccccccccccc)c)3)
 == Reaction(s) known to consume the compound ==
-* [[RXN-10706]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10699]]
+* [[RXN1G-1438]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-hexanoyl-coa}}
+{{#set: common-name=trehalose-cis-keto-mono-mycolate}}
-{{#set: molecular-weight=1011.867}}
+{{#set: molecular-weight=1590.555}}
-{{#set: inchi-key=inchikey=vwfuyqvgvaevnh-wzglbkmisa-j}}
+{{#set: inchi-key=inchikey=wpvqftorcfmmcp-wbsumzshsa-n}}