Difference between revisions of "RXN1G-1435"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-506 CPD-506] == * smiles: ** C1(O)(C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-]...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-3-DIHYDROXYBENZOATE 2-3-DIHYDROXYBENZOATE] == * smiles: ** C(C1(=CC=CC(=C1O)O))([O-])=O * inc...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-506 CPD-506] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-3-DIHYDROXYBENZOATE 2-3-DIHYDROXYBENZOATE] ==
 
* smiles:
 
* smiles:
−
** C1(O)(C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)1)
+
** C(C1(=CC=CC(=C1O)O))([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=CIPFCGZLFXVXBG-CNWJWELYSA-F
+
** InChIKey=GLDQAMYCGOIJDV-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** D-myo-inositol (1,3,4,5)-tetrakisphosphate
+
** 2,3-dihydroxybenzoate
 
* molecular weight:
 
* molecular weight:
−
** 492.013    
+
** 153.114    
 
* Synonym(s):
 
* Synonym(s):
−
** Ins(1,3,4,5)P4
+
** 2,3-dihydroxybenzoic acid
−
** inositol (1,3,4,5)-tetrakisphosphate
+
** 3-hydroxysalicylate
−
** 1D-myo-inositol (1,3,4,5)-tetrakisphosphate
+
** catechol-3-carboxylate
 +
** 2-pyrocatechuate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-8730]]
 
−
* [[3.1.3.62-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[2.7.1.139-RXN]]
+
* [[DHBDEHYD-RXN]]
−
* [[2.7.1.127-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 303-38-8
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54675818 54675818]
 +
* HMDB : HMDB00397
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01272 C01272]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00196 C00196]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.5323089.html 5323089]
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57895 57895]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=36654 36654]
−
* METABOLIGHTS : MTBLC57895
+
* BIGG : 23dhb
−
* PUBCHEM:
+
{{#set: smiles=C(C1(=CC=CC(=C1O)O))([O-])=O}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24742076 24742076]
+
{{#set: inchi key=InChIKey=GLDQAMYCGOIJDV-UHFFFAOYSA-M}}
−
* HMDB : HMDB01059
+
{{#set: common name=2,3-dihydroxybenzoate}}
−
{{#set: smiles=C1(O)(C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)1)}}
+
{{#set: molecular weight=153.114   }}
−
{{#set: inchi key=InChIKey=CIPFCGZLFXVXBG-CNWJWELYSA-F}}
+
{{#set: common name=2,3-dihydroxybenzoic acid|3-hydroxysalicylate|catechol-3-carboxylate|2-pyrocatechuate}}
−
{{#set: common name=D-myo-inositol (1,3,4,5)-tetrakisphosphate}}
+
{{#set: produced by=DHBDEHYD-RXN}}
−
{{#set: molecular weight=492.013   }}
+
−
{{#set: common name=Ins(1,3,4,5)P4|inositol (1,3,4,5)-tetrakisphosphate|1D-myo-inositol (1,3,4,5)-tetrakisphosphate}}
+
−
{{#set: consumed by=RXN-8730|3.1.3.62-RXN}}
+
−
{{#set: produced by=2.7.1.139-RXN|2.7.1.127-RXN}}
+

Revision as of 17:55, 18 March 2018

Metabolite 2-3-DIHYDROXYBENZOATE

  • smiles:
    • C(C1(=CC=CC(=C1O)O))([O-])=O
  • inchi key:
    • InChIKey=GLDQAMYCGOIJDV-UHFFFAOYSA-M
  • common name:
    • 2,3-dihydroxybenzoate
  • molecular weight:
    • 153.114
  • Synonym(s):
    • 2,3-dihydroxybenzoic acid
    • 3-hydroxysalicylate
    • catechol-3-carboxylate
    • 2-pyrocatechuate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C1(=CC=CC(=C1O)O))([O-])=O" cannot be used as a page name in this wiki.



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