Difference between revisions of "CPD-173"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CA+2 CA+2] == * smiles: ** [Ca++] * inchi key: ** InChIKey=BHPQYMZQTOCNFJ-UHFFFAOYSA-N * common...")
 
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CA+2 CA+2] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-173 CPD-173] ==
 
* smiles:
 
* smiles:
** [Ca++]
+
** C(C1(C=CC=CC=1O))O
 +
* molecular weight:
 +
** 124.139   
 
* inchi key:
 
* inchi key:
** InChIKey=BHPQYMZQTOCNFJ-UHFFFAOYSA-N
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** InChIKey=CQRYARSYNCAZFO-UHFFFAOYSA-N
 
* common name:
 
* common name:
** Ca2+
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** salicyl alcohol
* molecular weight:
+
** 40.08   
+
 
* Synonym(s):
 
* Synonym(s):
** Ca+2
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** saligenin
** Ca++
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** 2-hydroxybenzyl alcohol
** calcium ion
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** o-hydroxybenzyl alcohol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[TransportSeed_CA+2]]
 
* [[TRANS-RXN1HP7-35]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[TransportSeed_CA+2]]
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* [[RXN-12252]]
* [[TRANS-RXN1HP7-35]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ExchangeSeed_CA+2]]
 
* [[3.6.3.8-RXN]]
 
 
== External links  ==
 
== External links  ==
* METABOLIGHTS : MTBLC29108
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* METABOLIGHTS : MTBLC16464
* PUBCHEM:
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* CAS : 90-01-7
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=271 271]
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* HMDB : HMDB59709
* HMDB : HMDB00464
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00076 C00076]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.266.html 266]
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** [http://www.chemspider.com/Chemical-Structure.4962.html 4962]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29108 29108]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16464 16464]
* BIGG : ca2
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* LIGAND-CPD:
{{#set: smiles=[Ca++]}}
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** [http://www.genome.jp/dbget-bin/www_bget?C02323 C02323]
{{#set: inchi key=InChIKey=BHPQYMZQTOCNFJ-UHFFFAOYSA-N}}
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* PUBCHEM:
{{#set: common name=Ca2+}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5146 5146]
{{#set: molecular weight=40.08   }}
+
{{#set: smiles=C(C1(C=CC=CC=1O))O}}
{{#set: common name=Ca+2|Ca++|calcium ion}}
+
{{#set: molecular weight=124.139   }}
{{#set: consumed by=TransportSeed_CA+2|TRANS-RXN1HP7-35}}
+
{{#set: inchi key=InChIKey=CQRYARSYNCAZFO-UHFFFAOYSA-N}}
{{#set: produced by=TransportSeed_CA+2|TRANS-RXN1HP7-35}}
+
{{#set: common name=salicyl alcohol}}
{{#set: consumed or produced by=ExchangeSeed_CA+2|3.6.3.8-RXN}}
+
{{#set: common name=saligenin|2-hydroxybenzyl alcohol|o-hydroxybenzyl alcohol}}
 +
{{#set: produced by=RXN-12252}}

Latest revision as of 17:59, 9 January 2019

Metabolite CPD-173

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

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