Difference between revisions of "TRPSYN-PWY"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DOPAMINE DOPAMINE] == * smiles: ** C(CC1(C=C(C(=CC=1)O)O))[N+] * inchi key: ** InChIKey=VYFYYTL...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13122 CPD-13122] == * smiles: ** C(C1(OC(C(C(C=1)O)O)O))([O-])=O * inchi key: ** InChIKey=I...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DOPAMINE DOPAMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13122 CPD-13122] ==
 
* smiles:
 
* smiles:
−
** C(CC1(C=C(C(=CC=1)O)O))[N+]
+
** C(C1(OC(C(C(C=1)O)O)O))([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=VYFYYTLLBUKUHU-UHFFFAOYSA-O
+
** InChIKey=IAKKJSVSFCTLRY-BAKTXGBYSA-M
 
* common name:
 
* common name:
−
** dopamine
+
** 4-deoxy-L-threo-hex-4-enopyranuronate
 
* molecular weight:
 
* molecular weight:
−
** 154.188    
+
** 175.118    
 
* Synonym(s):
 
* Synonym(s):
−
** deoxyepinephrine
+
** (3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
−
** hydroxytyramine
+
** 4-deoxy-L-threo-5-hexosulose-uronic acid
−
** 3,4-dihydroxyphenethylamine
+
** 4-deoxy-L-threo-5-hexosulose-uronate
−
** intropin
+
** 4-deoxy-L-threo-hex-4-enopyranuronate
−
** 2-(3,4-dihydroxyphenyl)ethylamine
+
** 4-deoxy-β-L-threo-hex-4-enopyranuronose
−
** 4-(2-aminoethyl)benzene-1,2-diol
+
−
** 3-hydroxytyramine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN6666-9]]
 
−
* [[DOPAMINE-BETA-MONOOXYGENASE-RXN]]
 
−
* [[RXN6666-4]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12178]]
 +
* [[RXN-12270]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-16475]]
 
== External links  ==
 
== External links  ==
−
* CAS : 51-61-6
 
−
* BIGG : 42467
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3713609 3713609]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819971 91819971]
−
* HMDB : HMDB00073
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C03758 C03758]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.2944843.html 2944843]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=59905 59905]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62482 62482]
−
* METABOLIGHTS : MTBLC59905
+
{{#set: smiles=C(C1(OC(C(C(C=1)O)O)O))([O-])=O}}
−
{{#set: smiles=C(CC1(C=C(C(=CC=1)O)O))[N+]}}
+
{{#set: inchi key=InChIKey=IAKKJSVSFCTLRY-BAKTXGBYSA-M}}
−
{{#set: inchi key=InChIKey=VYFYYTLLBUKUHU-UHFFFAOYSA-O}}
+
{{#set: common name=4-deoxy-L-threo-hex-4-enopyranuronate}}
−
{{#set: common name=dopamine}}
+
{{#set: molecular weight=175.118   }}
−
{{#set: molecular weight=154.188   }}
+
{{#set: common name=(3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid|4-deoxy-L-threo-5-hexosulose-uronic acid|4-deoxy-L-threo-5-hexosulose-uronate|4-deoxy-L-threo-hex-4-enopyranuronate|4-deoxy-β-L-threo-hex-4-enopyranuronose}}
−
{{#set: common name=deoxyepinephrine|hydroxytyramine|3,4-dihydroxyphenethylamine|intropin|2-(3,4-dihydroxyphenyl)ethylamine|4-(2-aminoethyl)benzene-1,2-diol|3-hydroxytyramine}}
+
{{#set: produced by=RXN-12178|RXN-12270}}
−
{{#set: consumed by=RXN6666-9|DOPAMINE-BETA-MONOOXYGENASE-RXN|RXN6666-4}}
+
{{#set: reversible reaction associated=RXN-16475}}

Revision as of 20:27, 17 March 2018

Metabolite CPD-13122

  • smiles:
    • C(C1(OC(C(C(C=1)O)O)O))([O-])=O
  • inchi key:
    • InChIKey=IAKKJSVSFCTLRY-BAKTXGBYSA-M
  • common name:
    • 4-deoxy-L-threo-hex-4-enopyranuronate
  • molecular weight:
    • 175.118
  • Synonym(s):
    • (3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
    • 4-deoxy-L-threo-5-hexosulose-uronic acid
    • 4-deoxy-L-threo-5-hexosulose-uronate
    • 4-deoxy-L-threo-hex-4-enopyranuronate
    • 4-deoxy-β-L-threo-hex-4-enopyranuronose

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C1(OC(C(C(C=1)O)O)O))([O-])=O" cannot be used as a page name in this wiki.




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