Difference between revisions of "CPD-170"

Latest revision as of 11:13, 18 March 2021

common-name:
- stachyose
smiles:
- c(o)c1(c(o)c(o)c(o)c(o1)occ4(c(o)c(o)c(o)c(occ3(c(o)c(o)c(o)c(oc2(co)(c(o)c(o)c(co)o2))o3))o4))
inchi-key:
- uqziybxshagnoe-xnsrjbnmsa-n
molecular-weight:
- 666.583

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite METHACRYLYL-COA ==
+== Metabolite CPD-170 ==
 * common-name:
-** methylacrylyl-coa
+** stachyose
 * smiles:
-** c=c(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-])c
+** c(o)c1(c(o)c(o)c(o)c(o1)occ4(c(o)c(o)c(o)c(occ3(c(o)c(o)c(o)c(oc2(co)(c(o)c(o)c(co)o2))o3))o4))
 * inchi-key:
-** npalueycdzwbov-ndzskpawsa-j
+** uqziybxshagnoe-xnsrjbnmsa-n
 * molecular-weight:
-** 831.577
+** 666.583
 == Reaction(s) known to consume the compound ==
-* [[METHYLACYLYLCOA-HYDROXY-RXN]]
+* [[2.4.1.67-RXN]]
+* [[RXN-11501]]
 == Reaction(s) known to produce the compound ==
-* [[MCDH]]
+* [[2.4.1.67-RXN]]
-* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=methylacrylyl-coa}}
+{{#set: common-name=stachyose}}
-{{#set: inchi-key=inchikey=npalueycdzwbov-ndzskpawsa-j}}
+{{#set: inchi-key=inchikey=uqziybxshagnoe-xnsrjbnmsa-n}}
-{{#set: molecular-weight=831.577}}
+{{#set: molecular-weight=666.583}}