Difference between revisions of "DI-H-OROTATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14281 CPD-14281] == * smiles: ** CCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O...")
(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) * common name: ** (S)-...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14281 CPD-14281] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DI-H-OROTATE DI-H-OROTATE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
+
** C1(C(=O)NC(=O)NC(C(=O)[O-])1)
−
* inchi key:
+
−
** InChIKey=KRTIFNFQCJTGMV-DYAVHEMFSA-J
+
 
* common name:
 
* common name:
−
** trans-docos-2-enoyl-CoA
+
** (S)-dihydroorotate
 +
* inchi key:
 +
** InChIKey=UFIVEPVSAGBUSI-REOHCLBHSA-M
 
* molecular weight:
 
* molecular weight:
−
** 1084.06    
+
** 157.105    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-2,3-dihydro-docosenoyl-CoA
+
** dihydro-L-orotate
−
** (2E)-docosenoyl-CoA
+
** (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
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-13307]]
+
* [[RXN0-6491]]
 +
* [[RXN0-6554]]
 +
* [[DIHYDROOROTATE-DEHYDROGENASE-RXN]]
 +
* [[RXN-9929]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13303]]
+
* [[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
 +
* BIGG : dhor__S
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71627306 71627306]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460289 5460289]
 +
* HMDB : HMDB00528
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00337 C00337]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573876.html 4573876]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74692 74692]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30864 30864]
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
* METABOLIGHTS : MTBLC30864
−
{{#set: inchi key=InChIKey=KRTIFNFQCJTGMV-DYAVHEMFSA-J}}
+
{{#set: smiles=C1(C(=O)NC(=O)NC(C(=O)[O-])1)}}
−
{{#set: common name=trans-docos-2-enoyl-CoA}}
+
{{#set: common name=(S)-dihydroorotate}}
−
{{#set: molecular weight=1084.06   }}
+
{{#set: inchi key=InChIKey=UFIVEPVSAGBUSI-REOHCLBHSA-M}}
−
{{#set: common name=trans-2,3-dihydro-docosenoyl-CoA|(2E)-docosenoyl-CoA}}
+
{{#set: molecular weight=157.105   }}
−
{{#set: consumed by=RXN-13307}}
+
{{#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: produced by=RXN-13303}}
+
{{#set: consumed by=RXN0-6491|RXN0-6554|DIHYDROOROTATE-DEHYDROGENASE-RXN|RXN-9929}}
 +
{{#set: produced by=RXN0-6490}}
 +
{{#set: reversible reaction associated=DIHYDROOROT-RXN}}

Latest revision as of 19:54, 21 March 2018

Metabolite DI-H-OROTATE

  • smiles:
    • C1(C(=O)NC(=O)NC(C(=O)[O-])1)
  • common name:
    • (S)-dihydroorotate
  • inchi key:
    • InChIKey=UFIVEPVSAGBUSI-REOHCLBHSA-M
  • molecular weight:
    • 157.105
  • Synonym(s):
    • 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

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 5988-19-2
  • CAS : 155-54-4
  • BIGG : dhor__S
  • PUBCHEM:
  • HMDB : HMDB00528
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC30864
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