Difference between revisions of "RXN-16557"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-3-HYDROXY-BUTYRYL-COA 2-METHYL-3-HYDROXY-BUTYRYL-COA] == * smiles: ** CC(C(=O)SCCNC(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENYLOSUCC ADENYLOSUCC] == * smiles: ** C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=NC=NC=2...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-3-HYDROXY-BUTYRYL-COA 2-METHYL-3-HYDROXY-BUTYRYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENYLOSUCC ADENYLOSUCC] ==
 
* smiles:
 
* smiles:
−
** CC(C(=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-])C(C)O
+
** C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=NC=NC=23)NC(CC(=O)[O-])C(=O)[O-])))
 
* inchi key:
 
* inchi key:
−
** InChIKey=PEKYNTFSOBAABV-LQUDNSJZSA-J
+
** InChIKey=OFBHPPMPBOJXRT-DPXQIYNJSA-J
 
* common name:
 
* common name:
−
** (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
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** adenylo-succinate
 
* molecular weight:
 
* molecular weight:
−
** 863.619    
+
** 459.265    
 
* Synonym(s):
 
* Synonym(s):
−
** 2-methyl-3-hydroxybutyryl-CoA
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** N6-(1,2-dicarboxyethyl)-AMP
−
** (2S,3S)-3-hydroxy-2-methylbutyryl-CoA
+
** adenylo-succ
−
** (S)-3-hydroxy-2-methylbutyryl-CoA
+
−
** 3-hydroxy-2-methylbutyryl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[AAL_fum]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[ADENYLOSUCCINATE-SYNTHASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[TIGLYLCOA-HYDROXY-RXN]]
+
* [[AMPSYN-RXN]]
−
* [[HMNOS]]
+
 
== External links  ==
 
== External links  ==
 +
* CAS : 19240-42-7
 +
* METABOLIGHTS : MTBLC57567
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657672 90657672]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878398 46878398]
−
* CHEBI:
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* HMDB : HMDB00536
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15449 15449]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04405 C04405]
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** [http://www.genome.jp/dbget-bin/www_bget?C03794 C03794]
−
* HMDB : HMDB01356
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* CHEBI:
−
{{#set: smiles=CC(C(=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-])C(C)O}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57567 57567]
−
{{#set: inchi key=InChIKey=PEKYNTFSOBAABV-LQUDNSJZSA-J}}
+
* BIGG : dcamp
−
{{#set: common name=(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA}}
+
{{#set: smiles=C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=NC=NC=23)NC(CC(=O)[O-])C(=O)[O-])))}}
−
{{#set: molecular weight=863.619   }}
+
{{#set: inchi key=InChIKey=OFBHPPMPBOJXRT-DPXQIYNJSA-J}}
−
{{#set: common name=2-methyl-3-hydroxybutyryl-CoA|(2S,3S)-3-hydroxy-2-methylbutyryl-CoA|(S)-3-hydroxy-2-methylbutyryl-CoA|3-hydroxy-2-methylbutyryl-CoA}}
+
{{#set: common name=adenylo-succinate}}
−
{{#set: consumed or produced by=TIGLYLCOA-HYDROXY-RXN|HMNOS}}
+
{{#set: molecular weight=459.265   }}
 +
{{#set: common name=N6-(1,2-dicarboxyethyl)-AMP|adenylo-succ}}
 +
{{#set: consumed by=AAL_fum}}
 +
{{#set: produced by=ADENYLOSUCCINATE-SYNTHASE-RXN}}
 +
{{#set: reversible reaction associated=AMPSYN-RXN}}

Revision as of 18:57, 18 March 2018

Metabolite ADENYLOSUCC

  • smiles:
    • C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=NC=NC=23)NC(CC(=O)[O-])C(=O)[O-])))
  • inchi key:
    • InChIKey=OFBHPPMPBOJXRT-DPXQIYNJSA-J
  • common name:
    • adenylo-succinate
  • molecular weight:
    • 459.265
  • Synonym(s):
    • N6-(1,2-dicarboxyethyl)-AMP
    • adenylo-succ

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 19240-42-7
  • METABOLIGHTS : MTBLC57567
  • PUBCHEM:
  • HMDB : HMDB00536
  • LIGAND-CPD:
  • CHEBI:
  • BIGG : dcamp
"C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=NC=NC=23)NC(CC(=O)[O-])C(=O)[O-])))" cannot be used as a page name in this wiki.




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