Difference between revisions of "CPD-7408"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ETOH ETOH] == * smiles: ** CCO * inchi key: ** InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N * common na...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7408 CPD-7408] == * smiles: ** CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C...")
 
(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=ETOH ETOH] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7408 CPD-7408] ==
 
* smiles:
 
* smiles:
** CCO
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** CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
* inchi key:
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** InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** ethanol
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** all-trans phytofluene
 +
* inchi key:
 +
** InChIKey=OVSVTCFNLSGAMM-OUOOUFEBSA-N
 
* molecular weight:
 
* molecular weight:
** 46.069    
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** 542.93    
 
* Synonym(s):
 
* Synonym(s):
** absolute alcohol
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** 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
** alcohol
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** 7,8,11,12,7',8'-hexahydro-ψ,ψ-carotene
** EtOH
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** phytofluene
** eth
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** ethyl alcohol
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** grain alcohol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12363]]
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* [[R94]]
 +
* [[RXN-8024]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ACDHi]]
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* [[R93]]
* [[RXN-8748]]
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* [[ALCDHi]]
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* [[ACDHmi]]
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* [[ALCDHmi]]
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* [[ALCDH_nadp_hi]]
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* [[ALCDH_nadp_i]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ALCOHOL-DEHYDROG-RXN]]
 
* [[RXN-12484]]
 
 
== External links  ==
 
== External links  ==
* CAS : 64-17-5
 
* METABOLIGHTS : MTBLC16236
 
* DRUGBANK : DB00898
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=702 702]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6436722 6436722]
* HMDB : HMDB00108
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* HMDB : HMDB02272
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00469 C00469]
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** [http://www.genome.jp/dbget-bin/www_bget?C05414 C05414]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.682.html 682]
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** [http://www.chemspider.com/Chemical-Structure.4941340.html 4941340]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16236 16236]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28129 28129]
* BIGG : etoh
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* METABOLIGHTS : MTBLC28129
{{#set: smiles=CCO}}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C}}
{{#set: inchi key=InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N}}
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{{#set: common name=all-trans phytofluene}}
{{#set: common name=ethanol}}
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{{#set: inchi key=InChIKey=OVSVTCFNLSGAMM-OUOOUFEBSA-N}}
{{#set: molecular weight=46.069   }}
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{{#set: molecular weight=542.93   }}
{{#set: common name=absolute alcohol|alcohol|EtOH|eth|ethyl alcohol|grain alcohol}}
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{{#set: common name=2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene|7,8,11,12,7',8'-hexahydro-ψ,ψ-carotene|phytofluene}}
{{#set: consumed by=RXN-12363}}
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{{#set: consumed by=R94|RXN-8024}}
{{#set: produced by=ACDHi|RXN-8748|ALCDHi|ACDHmi|ALCDHmi|ALCDH_nadp_hi|ALCDH_nadp_i}}
+
{{#set: produced by=R93}}
{{#set: consumed or produced by=ALCOHOL-DEHYDROG-RXN|RXN-12484}}
+

Latest revision as of 20:04, 21 March 2018

Metabolite CPD-7408

  • smiles:
    • CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
  • common name:
    • all-trans phytofluene
  • inchi key:
    • InChIKey=OVSVTCFNLSGAMM-OUOOUFEBSA-N
  • molecular weight:
    • 542.93
  • Synonym(s):
    • 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
    • 7,8,11,12,7',8'-hexahydro-ψ,ψ-carotene
    • phytofluene

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links