Difference between revisions of "CPD-16817"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4186 CPD-4186] == * smiles: ** CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16817 CPD-16817] == * smiles: ** C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2)) * common name: **...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4186 CPD-4186] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16817 CPD-16817] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C
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** C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))
* inchi key:
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** InChIKey=IZVFFXVYBHFIHY-SKCNUYALSA-N
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* common name:
 
* common name:
** lathosterol
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** indoxyl sulfate
 +
* inchi key:
 +
** InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 386.66    
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** 212.2    
 
* Synonym(s):
 
* Synonym(s):
** 5α-cholest-7-en-3β-ol
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** indol-3-yl sulfate
** α-cholest-7-en-3β-ol
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** cholesta-7-enol
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** Δ7-cholesten-3-β-ol
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** γ-cholesterol
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.14.21.6-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-15587]]
 
== External links  ==
 
== External links  ==
* CAS : 80-99-9
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65728 65728]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4453098 4453098]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17168 17168]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=43355 43355]
* LIGAND-CPD:
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* HMDB : HMDB00682
** [http://www.genome.jp/dbget-bin/www_bget?C01189 C01189]
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{{#set: smiles=C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))}}
* HMDB : HMDB01170
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{{#set: common name=indoxyl sulfate}}
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C}}
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{{#set: inchi key=InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M}}
{{#set: inchi key=InChIKey=IZVFFXVYBHFIHY-SKCNUYALSA-N}}
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{{#set: molecular weight=212.2   }}
{{#set: common name=lathosterol}}
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{{#set: common name=indol-3-yl sulfate}}
{{#set: molecular weight=386.66   }}
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{{#set: reversible reaction associated=RXN-15587}}
{{#set: common name=5α-cholest-7-en-3β-ol|α-cholest-7-en-3β-ol|cholesta-7-enol|Δ7-cholesten-3-β-ol|γ-cholesterol}}
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{{#set: consumed by=1.14.21.6-RXN}}
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Latest revision as of 20:11, 21 March 2018

Metabolite CPD-16817

  • smiles:
    • C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))
  • common name:
    • indoxyl sulfate
  • inchi key:
    • InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M
  • molecular weight:
    • 212.2
  • Synonym(s):
    • indol-3-yl sulfate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))" cannot be used as a page name in this wiki.