Difference between revisions of "3-OCTAPRENYL-4-HYDROXYBENZOATE"

Revision as of 15:12, 15 March 2021

common-name:
- 3-oxooctanoyl-coa
molecular-weight:
- 903.684
inchi-key:
- wpivbcgrgvnddt-cecatxlmsa-j
smiles:
- cccccc(=o)cc(=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-]

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite EPOXYSQUALENE ==
+== Metabolite CPD0-2106 ==
 * common-name:
-** (3s)-2,3-epoxy-2,3-dihydrosqualene
+** 3-oxooctanoyl-coa
 * molecular-weight:
-** 426.724
+** 903.684
 * inchi-key:
-** qyimspsdbykppy-rskuxysasa-n
+** wpivbcgrgvnddt-cecatxlmsa-j
 * smiles:
-** cc(c)=cccc(c)=cccc(c)=cccc=c(c)ccc=c(c)cc[ch]1(c(c)(c)o1)
+** cccccc(=o)cc(=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-]
 == Reaction(s) known to consume the compound ==
-* [[CYCLOARTENOL-SYNTHASE-RXN]]
+* [[RXN-14277]]
 == Reaction(s) known to produce the compound ==
-* [[SQUALENE-MONOOXYGENASE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3s)-2,3-epoxy-2,3-dihydrosqualene}}
+{{#set: common-name=3-oxooctanoyl-coa}}
-{{#set: molecular-weight=426.724}}
+{{#set: molecular-weight=903.684}}
-{{#set: inchi-key=inchikey=qyimspsdbykppy-rskuxysasa-n}}
+{{#set: inchi-key=inchikey=wpivbcgrgvnddt-cecatxlmsa-j}}