Difference between revisions of "CPD-5846"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SULFATE SULFATE] == * smiles: ** O=S(=O)([O-])[O-] * inchi key: ** InChIKey=QAOWNCQODCNURD-UHFF...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5846 CPD-5846] == * smiles: ** CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-...")
 
(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=SULFATE SULFATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5846 CPD-5846] ==
 
* smiles:
 
* smiles:
−
** O=S(=O)([O-])[O-]
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** CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))
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* inchi key:
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** InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-L
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* common name:
 
* common name:
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** sulfate
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** 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
 +
* inchi key:
 +
** InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M
 
* molecular weight:
 
* molecular weight:
−
** 96.058    
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** 443.688    
 
* Synonym(s):
 
* Synonym(s):
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** sulfuric acid
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** 17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid
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** H2SO4
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−
** sulphate
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−
** SO4-2
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** SO42-
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−
** SO4--
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
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* [[TransportSeed_SULFATE]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
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* [[3.1.6.13-RXN]]
 
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* [[3.1.6.12-RXN]]
 
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* [[TransportSeed_SULFATE]]
 
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* [[ADENYLYLSULFATASE-RXN]]
 
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* [[RXN-11569]]
 
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* [[3.1.6.14-RXN]]
 
−
* [[CEREBROSIDE-SULFATASE-RXN]]
 
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* [[ARYLSULFAT-RXN]]
 
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* [[RXN-16483]]
 
−
* [[RXN-11570]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
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* [[SULFATE-ADENYLYLTRANS-RXN]]
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* [[1.1.1.170-RXN]]
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* [[ExchangeSeed_SULFATE]]
+
 
== External links  ==
 
== External links  ==
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* CAS : 14808-79-8
 
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* METABOLIGHTS : MTBLC16189
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1117 1117]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145105 21145105]
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* HMDB : HMDB01448
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−
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00059 C00059]
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* CHEMSPIDER:
 
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.1085.html 1085]
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** [http://www.chemspider.com/Chemical-Structure.20015982.html 20015982]
 +
* HMDB : HMDB11662
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16189 16189]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58387 58387]
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* BIGG : so4
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* LIGAND-CPD:
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{{#set: smiles=O=S(=O)([O-])[O-]}}
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** [http://www.genome.jp/dbget-bin/www_bget?C04840 C04840]
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{{#set: inchi key=InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-L}}
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{{#set: smiles=CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))}}
−
{{#set: common name=sulfate}}
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{{#set: common name=3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate}}
−
{{#set: molecular weight=96.058   }}
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{{#set: inchi key=InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M}}
−
{{#set: common name=sulfuric acid|H2SO4|sulphate|SO4-2|SO42-|SO4--}}
+
{{#set: molecular weight=443.688   }}
−
{{#set: consumed by=TransportSeed_SULFATE}}
+
{{#set: common name=17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid}}
−
{{#set: produced by=3.1.6.13-RXN|3.1.6.12-RXN|TransportSeed_SULFATE|ADENYLYLSULFATASE-RXN|RXN-11569|3.1.6.14-RXN|CEREBROSIDE-SULFATASE-RXN|ARYLSULFAT-RXN|RXN-16483|RXN-11570}}
+
{{#set: reversible reaction associated=1.1.1.170-RXN}}
−
{{#set: consumed or produced by=SULFATE-ADENYLYLTRANS-RXN|ExchangeSeed_SULFATE}}
+

Latest revision as of 19:58, 21 March 2018

Metabolite CPD-5846

  • smiles:
    • CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))
  • common name:
    • 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
  • inchi key:
    • InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M
  • molecular weight:
    • 443.688
  • Synonym(s):
    • 17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))" cannot be used as a page name in this wiki.


"17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid" cannot be used as a page name in this wiki.
Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-5846&oldid=44927"