Difference between revisions of "CPD-4186"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-703 CPD-703] == * smiles: ** C(=O)C1(C=CC(=CC=1)[N+]([O-])=O) * inchi key: ** InChIKey=BXRF...")
(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)...")
 
(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-703 CPD-703] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4186 CPD-4186] ==
 
* smiles:
 
* smiles:
** C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)
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** CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C
* inchi key:
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** InChIKey=BXRFQSNOROATLV-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** 4-nitrobenzaldehyde
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** lathosterol
 +
* inchi key:
 +
** InChIKey=IZVFFXVYBHFIHY-SKCNUYALSA-N
 
* molecular weight:
 
* molecular weight:
** 151.121    
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** 386.66    
 
* Synonym(s):
 
* Synonym(s):
** 4NBZ
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** 5α-cholest-7-en-3β-ol
** p-nitrobenzaldehyde
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** α-cholest-7-en-3β-ol
 +
** cholesta-7-enol
 +
** Δ7-cholesten-3-β-ol
 +
** γ-cholesterol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN0-5141]]
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* [[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 ==
 
== External links  ==
 
== External links  ==
* CAS : 555-16-8
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* CAS : 80-99-9
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=541 541]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65728 65728]
* CHEMSPIDER:
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* HMDB : HMDB01170
** [http://www.chemspider.com/Chemical-Structure.526.html 526]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=66926 66926]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17168 17168]
* NCI:
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* LIGAND-CPD:
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=6103 6103]
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** [http://www.genome.jp/dbget-bin/www_bget?C01189 C01189]
{{#set: smiles=C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)}}
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{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C}}
{{#set: inchi key=InChIKey=BXRFQSNOROATLV-UHFFFAOYSA-N}}
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{{#set: common name=lathosterol}}
{{#set: common name=4-nitrobenzaldehyde}}
+
{{#set: inchi key=InChIKey=IZVFFXVYBHFIHY-SKCNUYALSA-N}}
{{#set: molecular weight=151.121   }}
+
{{#set: molecular weight=386.66   }}
{{#set: common name=4NBZ|p-nitrobenzaldehyde}}
+
{{#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}}
{{#set: consumed by=RXN0-5141}}
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{{#set: consumed by=1.14.21.6-RXN}}

Latest revision as of 21:11, 21 March 2018

Metabolite CPD-4186

  • smiles:
    • CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C
  • common name:
    • lathosterol
  • inchi key:
    • InChIKey=IZVFFXVYBHFIHY-SKCNUYALSA-N
  • molecular weight:
    • 386.66
  • Synonym(s):
    • 5α-cholest-7-en-3β-ol
    • α-cholest-7-en-3β-ol
    • cholesta-7-enol
    • Δ7-cholesten-3-β-ol
    • γ-cholesterol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 80-99-9
  • PUBCHEM:
  • HMDB : HMDB01170
  • CHEBI:
  • LIGAND-CPD:
"CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C" cannot be used as a page name in this wiki.