Difference between revisions of "CPD-17641"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11879 CPD-11879] == * smiles: ** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O * inchi key: ** InChIKe...")
 
 
(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-11879 CPD-11879] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17641 CPD-17641] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
 +
* molecular weight:
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** 1045.968   
 
* inchi key:
 
* inchi key:
** InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M
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** InChIKey=WMNWNRKMANJLHY-LFZQUHGESA-J
 
* common name:
 
* common name:
** 3,4-dihydroxymandelate
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** 18-hydroxystearoyl-CoA
* molecular weight:
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** 183.14   
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* Synonym(s):
 
* Synonym(s):
** 3,4-dihydroxymandelic acid
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** ω-hydroxy-octadecanoyl-coenzyme A
** dihydroxymandelic acid
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** ω-hydroxystearoyl-CoA
** mandelic acid, 3,4-dihydroxy-
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** 18-hydroxy-octadecanoyl-CoA
** DHMA
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== 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-10912]]
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* [[RXN-16401]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6950180 6950180]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819832 91819832]
* HMDB : HMDB01866
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
* LIGAND-CPD:
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{{#set: molecular weight=1045.968    }}
** [http://www.genome.jp/dbget-bin/www_bget?C05580 C05580]
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{{#set: inchi key=InChIKey=WMNWNRKMANJLHY-LFZQUHGESA-J}}
* CHEMSPIDER:
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{{#set: common name=18-hydroxystearoyl-CoA}}
** [http://www.chemspider.com/Chemical-Structure.77371.html 77371]
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{{#set: common name=ω-hydroxy-octadecanoyl-coenzyme A|ω-hydroxystearoyl-CoA|18-hydroxy-octadecanoyl-CoA}}
* CHEBI:
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{{#set: produced by=RXN-16401}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27637 27637]
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* METABOLIGHTS : MTBLC27637
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{{#set: smiles=C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O}}
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{{#set: inchi key=InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M}}
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{{#set: common name=3,4-dihydroxymandelate}}
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{{#set: molecular weight=183.14    }}
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{{#set: common name=3,4-dihydroxymandelic acid|dihydroxymandelic acid|mandelic acid, 3,4-dihydroxy-|DHMA}}
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{{#set: produced by=RXN-10912}}
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Latest revision as of 16:49, 9 January 2019

Metabolite CPD-17641

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • molecular weight:
    • 1045.968
  • inchi key:
    • InChIKey=WMNWNRKMANJLHY-LFZQUHGESA-J
  • common name:
    • 18-hydroxystearoyl-CoA
  • Synonym(s):
    • ω-hydroxy-octadecanoyl-coenzyme A
    • ω-hydroxystearoyl-CoA
    • 18-hydroxy-octadecanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.