Difference between revisions of "CPD-8678"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13524 CPD-13524] == * smiles: ** CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1) * inchi key: ** I...")
 
 
(3 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-13524 CPD-13524] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8678 CPD-8678] ==
 
* smiles:
 
* smiles:
** CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1)
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** CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO
 +
* molecular weight:
 +
** 309.425   
 
* inchi key:
 
* inchi key:
** InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N
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** InChIKey=RWKJTIHNYSIIHW-MEBVTJQTSA-M
 
* common name:
 
* common name:
** all-trans-retinol
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** 9(S)-HPOTE
* molecular weight:
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** 286.456   
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* Synonym(s):
 
* Synonym(s):
** trans-retinol
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** 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid
** retinol
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** 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate
** vitamin A
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** vitamin A1
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12575]]
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* [[RXN-8497]]
* [[3.1.1.64-RXN]]
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* [[RXN-12579]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-10841]]
 
* [[RETINOL-DEHYDROGENASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB00162
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* CHEBI:
* CAS : 68-26-8
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60962 60962]
* CAS : 11103-57-4
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* Wikipedia : Retinol
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* LIPID_MAPS : LMPR01090001
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* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=445354 445354]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49852426 49852426]
* HMDB : HMDB00305
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00473 C00473]
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** [http://www.genome.jp/dbget-bin/www_bget?C16321 C16321]
* CHEMSPIDER:
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{{#set: smiles=CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO}}
** [http://www.chemspider.com/Chemical-Structure.393012.html 393012]
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{{#set: molecular weight=309.425    }}
* CHEBI:
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{{#set: inchi key=InChIKey=RWKJTIHNYSIIHW-MEBVTJQTSA-M}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17336 17336]
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{{#set: common name=9(S)-HPOTE}}
* METABOLIGHTS : MTBLC17336
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{{#set: common name=9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid|9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate}}
{{#set: smiles=CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1)}}
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{{#set: produced by=RXN-8497}}
{{#set: inchi key=InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N}}
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{{#set: common name=all-trans-retinol}}
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{{#set: molecular weight=286.456    }}
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{{#set: common name=trans-retinol|retinol|vitamin A|vitamin A1}}
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{{#set: produced by=RXN-12575|3.1.1.64-RXN|RXN-12579}}
+
{{#set: consumed or produced by=RXN-10841|RETINOL-DEHYDROGENASE-RXN}}
+

Latest revision as of 15:20, 9 January 2019

Metabolite CPD-8678

  • smiles:
    • CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO
  • molecular weight:
    • 309.425
  • inchi key:
    • InChIKey=RWKJTIHNYSIIHW-MEBVTJQTSA-M
  • common name:
    • 9(S)-HPOTE
  • Synonym(s):
    • 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid
    • 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO" cannot be used as a page name in this wiki.