Difference between revisions of "CPD-173"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ACETO-LACTATE 2-ACETO-LACTATE] == * smiles: ** CC(=O)C(C)(O)C(=O)[O-] * inchi key: ** InChIKe...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-173 CPD-173] == * smiles: ** C(C1(C=CC=CC=1O))O * common name: ** salicyl alcohol * inchi k...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ACETO-LACTATE 2-ACETO-LACTATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-173 CPD-173] ==
 
* smiles:
 
* smiles:
−
** CC(=O)C(C)(O)C(=O)[O-]
+
** C(C1(C=CC=CC=1O))O
−
* inchi key:
+
−
** InChIKey=NMDWGEGFJUBKLB-YFKPBYRVSA-M
+
 
* common name:
 
* common name:
−
** (S)-2-acetolactate
+
** salicyl alcohol
 +
* inchi key:
 +
** InChIKey=CQRYARSYNCAZFO-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 131.108    
+
** 124.139    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-2-hydroxy-2-methyl-3-oxobutanoate
+
** saligenin
−
** α-acetolactate
+
** 2-hydroxybenzyl alcohol
−
** (2S)-2-hydroxy-2-methyl-3-oxobutanoate
+
** o-hydroxybenzyl alcohol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-6081]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[ACETOLACTSYN-RXN]]
+
* [[RXN-12252]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ACETOLACTREDUCTOISOM-RXN]]
 
−
* [[RXN-14037]]
 
 
== External links  ==
 
== External links  ==
 +
* CAS : 90-01-7
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=13999770 13999770]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5146 5146]
−
* HMDB : HMDB06855
+
* HMDB : HMDB59709
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06010 C06010]
+
** [http://www.genome.jp/dbget-bin/www_bget?C02323 C02323]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.19951073.html 19951073]
+
** [http://www.chemspider.com/Chemical-Structure.4962.html 4962]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58476 58476]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16464 16464]
−
* BIGG : alac__S
+
* METABOLIGHTS : MTBLC16464
−
{{#set: smiles=CC(=O)C(C)(O)C(=O)[O-]}}
+
{{#set: smiles=C(C1(C=CC=CC=1O))O}}
−
{{#set: inchi key=InChIKey=NMDWGEGFJUBKLB-YFKPBYRVSA-M}}
+
{{#set: common name=salicyl alcohol}}
−
{{#set: common name=(S)-2-acetolactate}}
+
{{#set: inchi key=InChIKey=CQRYARSYNCAZFO-UHFFFAOYSA-N}}
−
{{#set: molecular weight=131.108   }}
+
{{#set: molecular weight=124.139   }}
−
{{#set: common name=(S)-2-hydroxy-2-methyl-3-oxobutanoate|α-acetolactate|(2S)-2-hydroxy-2-methyl-3-oxobutanoate}}
+
{{#set: common name=saligenin|2-hydroxybenzyl alcohol|o-hydroxybenzyl alcohol}}
−
{{#set: consumed by=RXN-6081}}
+
{{#set: produced by=RXN-12252}}
−
{{#set: produced by=ACETOLACTSYN-RXN}}
+
−
{{#set: reversible reaction associated=ACETOLACTREDUCTOISOM-RXN|RXN-14037}}
+

Latest revision as of 20:16, 21 March 2018

Metabolite CPD-173

  • smiles:
    • C(C1(C=CC=CC=1O))O
  • common name:
    • salicyl alcohol
  • inchi key:
    • InChIKey=CQRYARSYNCAZFO-UHFFFAOYSA-N
  • molecular weight:
    • 124.139
  • Synonym(s):
    • saligenin
    • 2-hydroxybenzyl alcohol
    • o-hydroxybenzyl alcohol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 90-01-7
  • PUBCHEM:
  • HMDB : HMDB59709
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16464




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