Difference between revisions of "CPD-110"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=44-DIMETHYL-CHOLESTA-812-24-TRIENOL 44-DIMETHYL-CHOLESTA-812-24-TRIENOL] == * smiles: ** CC(C)=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-110 CPD-110] == * smiles: ** C(C1(=CC=CC=C1O))([O-])=O * inchi key: ** InChIKey=YGSDEFSMJLZ...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=44-DIMETHYL-CHOLESTA-812-24-TRIENOL 44-DIMETHYL-CHOLESTA-812-24-TRIENOL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-110 CPD-110] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C
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** C(C1(=CC=CC=C1O))([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=LFQXEZVYNCBVDO-PBJLWWPKSA-N
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** InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** 4,4-dimethyl-cholesta-8,12,24-trienol
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** salicylate
 
* molecular weight:
 
* molecular weight:
−
** 410.682    
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** 137.115    
 
* Synonym(s):
 
* Synonym(s):
−
** 17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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** salicylic acid
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** 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol
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** o-hydroxybenzoic acid
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** 4,4-dimethyl-5-α-cholesta-8,14,24-trien-3-β-ol
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** 2-hydroxybenzoic acid
 +
** SA
 +
** 2-HBA
 +
** 2-hydroxybenzoate
 +
** o-hydroxybenzoate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-306]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN3O-130]]
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* [[1.2.1.65-RXN]]
−
* [[RXN66-305]]
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* [[RXNQT-4366]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 69-72-7
 +
* Wikipedia : Salicylate
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=443212 443212]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54675850 54675850]
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* CHEBI:
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* KNAPSACK : C00000206
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17813 17813]
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* HMDB : HMDB01895
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C11455 C11455]
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** [http://www.genome.jp/dbget-bin/www_bget?C00805 C00805]
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* HMDB : HMDB01023
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* CHEMSPIDER:
−
{{#set: smiles=CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C}}
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** [http://www.chemspider.com/Chemical-Structure.4964.html 4964]
−
{{#set: inchi key=InChIKey=LFQXEZVYNCBVDO-PBJLWWPKSA-N}}
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* CHEBI:
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{{#set: common name=4,4-dimethyl-cholesta-8,12,24-trienol}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30762 30762]
−
{{#set: molecular weight=410.682   }}
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{{#set: smiles=C(C1(=CC=CC=C1O))([O-])=O}}
−
{{#set: common name=17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol|4,4-dimethyl-5-α-cholesta-8,14,24-trien-3-β-ol}}
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{{#set: inchi key=InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M}}
−
{{#set: consumed by=RXN66-306}}
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{{#set: common name=salicylate}}
−
{{#set: produced by=RXN3O-130|RXN66-305}}
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{{#set: molecular weight=137.115   }}
 +
{{#set: common name=salicylic acid|o-hydroxybenzoic acid|2-hydroxybenzoic acid|SA|2-HBA|2-hydroxybenzoate|o-hydroxybenzoate}}
 +
{{#set: produced by=1.2.1.65-RXN|RXNQT-4366}}

Latest revision as of 19:19, 21 March 2018

Metabolite CPD-110

  • smiles:
    • C(C1(=CC=CC=C1O))([O-])=O
  • inchi key:
    • InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M
  • common name:
    • salicylate
  • molecular weight:
    • 137.115
  • Synonym(s):
    • salicylic acid
    • o-hydroxybenzoic acid
    • 2-hydroxybenzoic acid
    • SA
    • 2-HBA
    • 2-hydroxybenzoate
    • o-hydroxybenzoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 69-72-7
  • Wikipedia : Salicylate
  • PUBCHEM:
  • KNAPSACK : C00000206
  • HMDB : HMDB01895
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
"C(C1(=CC=CC=C1O))([O-])=O" cannot be used as a page name in this wiki.



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