Difference between revisions of "CPD-9925"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LAUROYLCOA-CPD LAUROYLCOA-CPD] == * smiles: ** CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9925 CPD-9925] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=...")
 
(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=LAUROYLCOA-CPD LAUROYLCOA-CPD] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9925 CPD-9925] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=YMCXGHLSVALICC-GMHMEAMDSA-J
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** InChIKey=PYTINLGPKDJURZ-HSJNEKGZSA-J
 
* common name:
 
* common name:
** lauroyl-CoA
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** 1,4-dihydroxy-2-naphthoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 945.808    
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** 949.669    
 
* Synonym(s):
 
* Synonym(s):
** dodecanoyl-CoA (n-C12:0CoA)
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** 1,4-dihydroxy-2-naphthoate-CoA
** lauroyl coenzyme A
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** DHNA-CoA
** dodecanoyl-CoA
+
  
 
== 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-16393]]
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* [[NAPHTHOATE-SYN-RXN]]
* [[RXN-14268]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 6244-92-4
 
* BIGG : 38504
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25113193 25113193]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878473 46878473]
* HMDB : HMDB03571
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01832 C01832]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57375 57375]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58897 58897]
* METABOLIGHTS : MTBLC57375
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* LIGAND-CPD:
{{#set: smiles=CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15547 C15547]
{{#set: inchi key=InChIKey=YMCXGHLSVALICC-GMHMEAMDSA-J}}
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
{{#set: common name=lauroyl-CoA}}
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{{#set: inchi key=InChIKey=PYTINLGPKDJURZ-HSJNEKGZSA-J}}
{{#set: molecular weight=945.808   }}
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{{#set: common name=1,4-dihydroxy-2-naphthoyl-CoA}}
{{#set: common name=dodecanoyl-CoA (n-C12:0CoA)|lauroyl coenzyme A|dodecanoyl-CoA}}
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{{#set: molecular weight=949.669   }}
{{#set: produced by=RXN-16393|RXN-14268}}
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{{#set: common name=1,4-dihydroxy-2-naphthoate-CoA|DHNA-CoA}}
 +
{{#set: produced by=NAPHTHOATE-SYN-RXN}}

Latest revision as of 19:39, 21 March 2018

Metabolite CPD-9925

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
  • inchi key:
    • InChIKey=PYTINLGPKDJURZ-HSJNEKGZSA-J
  • common name:
    • 1,4-dihydroxy-2-naphthoyl-CoA
  • molecular weight:
    • 949.669
  • Synonym(s):
    • 1,4-dihydroxy-2-naphthoate-CoA
    • DHNA-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(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-" cannot be used as a page name in this wiki.