Difference between revisions of "Tiso gene 6106"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DI-H-OROTATE DI-H-OROTATE] == * smiles: ** C1(C(=O)NC(=O)NC(C(=O)[O-])1) * inchi key: ** InChIK...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15368 CPD-15368] == * smiles: ** CCCCCCC(O)CC=CCCCCCCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DI-H-OROTATE DI-H-OROTATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15368 CPD-15368] ==
 
* smiles:
 
* smiles:
−
** C1(C(=O)NC(=O)NC(C(=O)[O-])1)
+
** CCCCCCC(O)CC=CCCCCCCCC(=O)CC(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-])=O
−
* inchi key:
+
−
** InChIKey=UFIVEPVSAGBUSI-REOHCLBHSA-M
+
 
* common name:
 
* common name:
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** (S)-dihydroorotate
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** 3-oxo-lesqueroloyl-CoA
 +
* inchi key:
 +
** InChIKey=NQXRRZBOZBKGIU-MHAUFEDZSA-J
 
* molecular weight:
 
* molecular weight:
−
** 157.105    
+
** 1085.989    
 
* Synonym(s):
 
* Synonym(s):
−
** dihydro-L-orotate
 
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** (S)-4,5-dihydroorotate
 
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** (S)-4,5-dihydroorotic acid
 
−
** (S)-hydroorotic acid
 
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** (S)-di-H-orotate
 
−
** L-dihydroorotate
 
−
** 4,5-dihydro-L-orotate
 
−
** L-4,5-dihydroorotate
 
−
** (S)-4-pyrimidinecarboxylic acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN0-6491]]
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* [[RXN-14493]]
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* [[RXN0-6554]]
+
−
* [[DIHYDROOROTATE-DEHYDROGENASE-RXN]]
+
−
* [[RXN-9929]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN0-6490]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[DIHYDROOROT-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 5988-19-2
 
−
* CAS : 155-54-4
 
−
* METABOLIGHTS : MTBLC30864
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460289 5460289]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657339 90657339]
−
* HMDB : HMDB00528
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{{#set: smiles=CCCCCCC(O)CC=CCCCCCCCC(=O)CC(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-])=O}}
−
* LIGAND-CPD:
+
{{#set: common name=3-oxo-lesqueroloyl-CoA}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00337 C00337]
+
{{#set: inchi key=InChIKey=NQXRRZBOZBKGIU-MHAUFEDZSA-J}}
−
* CHEMSPIDER:
+
{{#set: molecular weight=1085.989    }}
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** [http://www.chemspider.com/Chemical-Structure.4573876.html 4573876]
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{{#set: consumed by=RXN-14493}}
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* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30864 30864]
+
−
* BIGG : dhor__S
+
−
{{#set: smiles=C1(C(=O)NC(=O)NC(C(=O)[O-])1)}}
+
−
{{#set: inchi key=InChIKey=UFIVEPVSAGBUSI-REOHCLBHSA-M}}
+
−
{{#set: common name=(S)-dihydroorotate}}
+
−
{{#set: molecular weight=157.105    }}
+
−
{{#set: common name=dihydro-L-orotate|(S)-4,5-dihydroorotate|(S)-4,5-dihydroorotic acid|(S)-hydroorotic acid|(S)-di-H-orotate|L-dihydroorotate|4,5-dihydro-L-orotate|L-4,5-dihydroorotate|(S)-4-pyrimidinecarboxylic acid}}
+
−
{{#set: consumed by=RXN0-6491|RXN0-6554|DIHYDROOROTATE-DEHYDROGENASE-RXN|RXN-9929}}
+
−
{{#set: produced by=RXN0-6490}}
+
−
{{#set: reversible reaction associated=DIHYDROOROT-RXN}}
+

Revision as of 16:35, 21 March 2018

Metabolite CPD-15368

  • smiles:
    • CCCCCCC(O)CC=CCCCCCCCC(=O)CC(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-])=O
  • common name:
    • 3-oxo-lesqueroloyl-CoA
  • inchi key:
    • InChIKey=NQXRRZBOZBKGIU-MHAUFEDZSA-J
  • molecular weight:
    • 1085.989
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC(O)CC=CCCCCCCCC(=O)CC(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-])=O" cannot be used as a page name in this wiki.



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