Difference between revisions of "CPD-663"

From metabolic_network
Jump to navigation Jump to search
(Created page with "Category:metabolite == Metabolite CHOCOLA_A == * common-name: ** all-trans-retinyl palmitate * smiles: ** cccccccccccccccc(occ=c(c=cc=c(c=cc1(c(cccc=1c)(c)c))c)c)=o * inch...")
(Created page with "Category:metabolite == Metabolite DIHYDRO-DIOH-BENZOATE == * common-name: ** (2s,3s)-2,3-dihydroxy-2,3-dihydrobenzoate * smiles: ** c([o-])(=o)c1(=cc=cc(c1o)o) * inchi-key...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CHOCOLA_A ==
+
== Metabolite DIHYDRO-DIOH-BENZOATE ==
 
* common-name:
 
* common-name:
** all-trans-retinyl palmitate
+
** (2s,3s)-2,3-dihydroxy-2,3-dihydrobenzoate
 
* smiles:
 
* smiles:
** cccccccccccccccc(occ=c(c=cc=c(c=cc1(c(cccc=1c)(c)c))c)c)=o
+
** c([o-])(=o)c1(=cc=cc(c1o)o)
 
* inchi-key:
 
* inchi-key:
** vygqutwhthxgqb-ffhknekcsa-n
+
** incswykiciyahb-wdskdsinsa-m
 
* molecular-weight:
 
* molecular-weight:
** 524.869
+
** 155.13
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[3.1.1.64-RXN]]
+
* [[DHBDEHYD-RXN]]
* [[RETINYL-PALMITATE-ESTERASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12547]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=all-trans-retinyl palmitate}}
+
{{#set: common-name=(2s,3s)-2,3-dihydroxy-2,3-dihydrobenzoate}}
{{#set: inchi-key=inchikey=vygqutwhthxgqb-ffhknekcsa-n}}
+
{{#set: inchi-key=inchikey=incswykiciyahb-wdskdsinsa-m}}
{{#set: molecular-weight=524.869}}
+
{{#set: molecular-weight=155.13}}

Revision as of 11:19, 15 January 2021

Metabolite DIHYDRO-DIOH-BENZOATE

  • common-name:
    • (2s,3s)-2,3-dihydroxy-2,3-dihydrobenzoate
  • smiles:
    • c([o-])(=o)c1(=cc=cc(c1o)o)
  • inchi-key:
    • incswykiciyahb-wdskdsinsa-m
  • molecular-weight:
    • 155.13

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality