Difference between revisions of "Tiso gene 727"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14404 CPD-14404] == * smiles: ** CCCCCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C...")
(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 * com...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14404 CPD-14404] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-3-DIHYDROXYBENZOATE 2-3-DIHYDROXYBENZOATE] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCC=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-]
+
** C(C1(=CC=CC(=C1O)O))([O-])=O
−
* inchi key:
+
−
** InChIKey=DJFXNRBQUUFIOS-DDQUOPDJSA-J
+
 
* common name:
 
* common name:
−
** 3-oxo-dihomo γ-linolenoyl-CoA
+
** 2,3-dihydroxybenzoate
 +
* inchi key:
 +
** InChIKey=GLDQAMYCGOIJDV-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 1065.958    
+
** 153.114    
 
* Synonym(s):
 
* Synonym(s):
−
** (8Z,11Z,14Z)-3-oxo-icosa-8,11,14-trienoyl-CoA
+
** 2,3-dihydroxybenzoic acid
−
** (8Z,11Z,14Z)-3-oxo-icosatrienoyl-CoA
+
** 3-hydroxysalicylate
 +
** catechol-3-carboxylate
 +
** 2-pyrocatechuate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12968]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[DHBDEHYD-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 303-38-8
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70698343 70698343]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54675818 54675818]
 +
* HMDB : HMDB00397
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00196 C00196]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.5323089.html 5323089]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71481 71481]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=36654 36654]
−
{{#set: smiles=CCCCCC=CCC=CCC=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-]}}
+
* BIGG : 23dhb
−
{{#set: inchi key=InChIKey=DJFXNRBQUUFIOS-DDQUOPDJSA-J}}
+
{{#set: smiles=C(C1(=CC=CC(=C1O)O))([O-])=O}}
−
{{#set: common name=3-oxo-dihomo γ-linolenoyl-CoA}}
+
{{#set: common name=2,3-dihydroxybenzoate}}
−
{{#set: molecular weight=1065.958   }}
+
{{#set: inchi key=InChIKey=GLDQAMYCGOIJDV-UHFFFAOYSA-M}}
−
{{#set: common name=(8Z,11Z,14Z)-3-oxo-icosa-8,11,14-trienoyl-CoA|(8Z,11Z,14Z)-3-oxo-icosatrienoyl-CoA}}
+
{{#set: molecular weight=153.114   }}
−
{{#set: consumed by=RXN-12968}}
+
{{#set: common name=2,3-dihydroxybenzoic acid|3-hydroxysalicylate|catechol-3-carboxylate|2-pyrocatechuate}}
 +
{{#set: produced by=DHBDEHYD-RXN}}

Revision as of 14:47, 21 March 2018

Metabolite 2-3-DIHYDROXYBENZOATE

  • smiles:
    • C(C1(=CC=CC(=C1O)O))([O-])=O
  • common name:
    • 2,3-dihydroxybenzoate
  • inchi key:
    • InChIKey=GLDQAMYCGOIJDV-UHFFFAOYSA-M
  • 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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