Difference between revisions of "CPD-16817"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HYDRPHENYLAC-CPD HYDRPHENYLAC-CPD] == * smiles: ** [CH](=O)CC1(C=CC(O)=CC=1) * inchi key: ** In...")
 
(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)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HYDRPHENYLAC-CPD HYDRPHENYLAC-CPD] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4186 CPD-4186] ==
 
* smiles:
 
* smiles:
** [CH](=O)CC1(C=CC(O)=CC=1)
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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:
 
* inchi key:
** InChIKey=IPRPPFIAVHPVJH-UHFFFAOYSA-N
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** InChIKey=IZVFFXVYBHFIHY-SKCNUYALSA-N
 
* common name:
 
* common name:
** (4-hydroxyphenyl)acetaldehyde
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** lathosterol
 
* molecular weight:
 
* molecular weight:
** 136.15    
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** 386.66    
 
* Synonym(s):
 
* Synonym(s):
** HPAL
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** 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 consume the compound ==
* [[RXN3O-4113]]
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* [[1.14.21.6-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-5821]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 7339-87-9
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* CAS : 80-99-9
* METABOLIGHTS : MTBLC15621
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* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=440113 440113]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65728 65728]
* HMDB : HMDB03767
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C03765 C03765]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.15403391.html 15403391]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15621 15621]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17168 17168]
* BIGG : 4hoxpacd
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* LIGAND-CPD:
{{#set: smiles=[CH](=O)CC1(C=CC(O)=CC=1)}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01189 C01189]
{{#set: inchi key=InChIKey=IPRPPFIAVHPVJH-UHFFFAOYSA-N}}
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* HMDB : HMDB01170
{{#set: common name=(4-hydroxyphenyl)acetaldehyde}}
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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: molecular weight=136.15   }}
+
{{#set: inchi key=InChIKey=IZVFFXVYBHFIHY-SKCNUYALSA-N}}
{{#set: common name=HPAL}}
+
{{#set: common name=lathosterol}}
{{#set: consumed by=RXN3O-4113}}
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{{#set: molecular weight=386.66   }}
{{#set: produced by=RXN-5821}}
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{{#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=1.14.21.6-RXN}}

Revision as of 18:15, 10 January 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
  • inchi key:
    • InChIKey=IZVFFXVYBHFIHY-SKCNUYALSA-N
  • common name:
    • lathosterol
  • 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:
  • CHEBI:
  • LIGAND-CPD:
  • HMDB : HMDB01170
"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.