Difference between revisions of "SJ01365"

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(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMOGENTISATE HOMOGENTISATE] == * common-name: ** homogentisate * smiles: ** c1(c(=cc(=c(c=1)o)...")
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] == * common-name: ** 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydr...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMOGENTISATE HOMOGENTISATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] ==
 
* common-name:
 
* common-name:
** homogentisate
+
** 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa
 
* smiles:
 
* smiles:
** c1(c(=cc(=c(c=1)o)cc([o-])=o)o)
+
** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(c(o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
 
* inchi-key:
 
* inchi-key:
** igmnyecmumzddf-uhfffaoysa-m
+
** gxyiojonrqgucv-swbalsfasa-j
 
* molecular-weight:
 
* molecular-weight:
** 167.141
+
** 1001.785
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14929]]
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* [[RXN-12750]]
* [[RXN-2541]]
 
* [[RXN-2761]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[4-HYDROXYPHENYLPYRUVATE-DIOXYGENASE-RXN]]
 
* [[HPPD]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=homogentisate}}
+
{{#set: common-name=3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa}}
{{#set: inchi-key=inchikey=igmnyecmumzddf-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=gxyiojonrqgucv-swbalsfasa-j}}
{{#set: molecular-weight=167.141}}
+
{{#set: molecular-weight=1001.785}}

Revision as of 09:24, 27 August 2019

Metabolite CPD-13757

  • common-name:
    • 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa
  • smiles:
    • cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(c(o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
  • inchi-key:
    • gxyiojonrqgucv-swbalsfasa-j
  • molecular-weight:
    • 1001.785

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

Property "Common-name" (as page type) with input value "3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.