Difference between revisions of "RXN-15561"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13713 CPD-13713] == * smiles: ** C(OP(=O)([O-])O[Se](=O)(=O)O)C1(OC(C(O)C(O)1)N3(C=NC2(C(N)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-3-HYDROXYBUTANOYL-COA S-3-HYDROXYBUTANOYL-COA] == * smiles: ** CC(CC(SCCNC(=O)CCNC(=O)C(O)C(C...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13713 CPD-13713] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-3-HYDROXYBUTANOYL-COA S-3-HYDROXYBUTANOYL-COA] ==
 
* smiles:
 
* smiles:
** C(OP(=O)([O-])O[Se](=O)(=O)O)C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))
+
** CC(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)O
 
* inchi key:
 
* inchi key:
** InChIKey=XCADVMZZFPIERR-DEGSGYPDSA-M
+
** InChIKey=QHHKKMYHDBRONY-VKBDFPRVSA-J
 
* common name:
 
* common name:
** adenosine 5'-phosphoselenate
+
** (S)-3-hydroxybutanoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 473.174    
+
** 849.593    
 
* Synonym(s):
 
* Synonym(s):
** adenylyl-selenate
+
** L-3-hydroxybutyryl-CoA
** APSe
+
** adenosine phosphoselenate
+
** adenylylselenate
+
** adenosine-5'-phosphoselenate
+
  
 
== 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-12720]]
+
* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-11667]]
 +
* [[RXN-11662]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657723 90657723]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266553 45266553]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2485 2485]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57316 57316]
 +
* BIGG : 36912
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05686 C05686]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01144 C01144]
* HMDB : HMDB04112
+
{{#set: smiles=CC(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)O}}
{{#set: smiles=C(OP(=O)([O-])O[Se](=O)(=O)O)C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))}}
+
{{#set: inchi key=InChIKey=QHHKKMYHDBRONY-VKBDFPRVSA-J}}
{{#set: inchi key=InChIKey=XCADVMZZFPIERR-DEGSGYPDSA-M}}
+
{{#set: common name=(S)-3-hydroxybutanoyl-CoA}}
{{#set: common name=adenosine 5'-phosphoselenate}}
+
{{#set: molecular weight=849.593   }}
{{#set: molecular weight=473.174   }}
+
{{#set: common name=L-3-hydroxybutyryl-CoA}}
{{#set: common name=adenylyl-selenate|APSe|adenosine phosphoselenate|adenylylselenate|adenosine-5'-phosphoselenate}}
+
{{#set: produced by=3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN}}
{{#set: produced by=RXN-12720}}
+
{{#set: reversible reaction associated=RXN-11667|RXN-11662}}

Revision as of 13:54, 21 March 2018

Metabolite S-3-HYDROXYBUTANOYL-COA

  • smiles:
    • CC(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)O
  • inchi key:
    • InChIKey=QHHKKMYHDBRONY-VKBDFPRVSA-J
  • common name:
    • (S)-3-hydroxybutanoyl-CoA
  • molecular weight:
    • 849.593
  • Synonym(s):
    • L-3-hydroxybutyryl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(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)O" cannot be used as a page name in this wiki.