Difference between revisions of "CPD-17621"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-302 CPD-302] == * smiles: ** C(C(=O)[O-])C([N+])C(=O)[O-] * common name: ** D-aspartate * i...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)COP(=O)(O...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-302 CPD-302] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] ==
 
* smiles:
 
* smiles:
** C(C(=O)[O-])C([N+])C(=O)[O-]
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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-]
 
* common name:
 
* common name:
** D-aspartate
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** 16-hydroxypalmitoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=CKLJMWTZIZZHCS-UWTATZPHSA-M
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** InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J
 
* molecular weight:
 
* molecular weight:
** 132.096    
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** 1017.914    
 
* Synonym(s):
 
* Synonym(s):
** D-aspartic acid
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** ω-hydroxy-hexadecanoyl-coenzyme A
 +
** ω-hydroxypalmitoyl-CoA
 +
** 16-hydroxy-hexadecanoyl-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-16389]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ASPARTATE-RACEMASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 1783-96-6
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460295 5460295]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86583440 86583440]
* HMDB : HMDB06483
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00402 C00402]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573880.html 4573880]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29990 29990]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84207 84207]
* METABOLIGHTS : MTBLC29990
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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-]}}
{{#set: smiles=C(C(=O)[O-])C([N+])C(=O)[O-]}}
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{{#set: common name=16-hydroxypalmitoyl-CoA}}
{{#set: common name=D-aspartate}}
+
{{#set: inchi key=InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J}}
{{#set: inchi key=InChIKey=CKLJMWTZIZZHCS-UWTATZPHSA-M}}
+
{{#set: molecular weight=1017.914   }}
{{#set: molecular weight=132.096   }}
+
{{#set: common name=ω-hydroxy-hexadecanoyl-coenzyme A|ω-hydroxypalmitoyl-CoA|16-hydroxy-hexadecanoyl-CoA}}
{{#set: common name=D-aspartic acid}}
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{{#set: produced by=RXN-16389}}
{{#set: reversible reaction associated=ASPARTATE-RACEMASE-RXN}}
+

Latest revision as of 21:18, 21 March 2018

Metabolite CPD-17621

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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-]
  • common name:
    • 16-hydroxypalmitoyl-CoA
  • inchi key:
    • InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J
  • molecular weight:
    • 1017.914
  • Synonym(s):
    • ω-hydroxy-hexadecanoyl-coenzyme A
    • ω-hydroxypalmitoyl-CoA
    • 16-hydroxy-hexadecanoyl-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)CCCCCCCCCCCCCCCO)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.