Difference between revisions of "BUTANEDIOL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9700 CPD-9700] == * smiles: ** C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1) * inchi key...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACRYLYL-COA ACRYLYL-COA] == * smiles: ** C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9700 CPD-9700] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACRYLYL-COA ACRYLYL-COA] ==
 
* smiles:
 
* smiles:
−
** C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)
+
** C=CC(=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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M
+
** InChIKey=POODSGUMUCVRTR-IEXPHMLFSA-J
 
* common name:
 
* common name:
−
** hypoglycin B
+
** acryloyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 269.277    
+
** 817.551    
 
* Synonym(s):
 
* Synonym(s):
−
** hypoglycine B
+
** acrylyl-coenzyme A
−
** L-gamma-glutamyl-L-hypoglycin
+
** propenoyl-CoA
−
** γ-glutamyl-β-(methylenecyclopropyl)-alanine
+
** acrylyl-CoA
−
** (2S)-2-amino-5-[[(2S)-1-hydroxy-3-[(1S)-2-methylidenecyclopropyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
+
  
 
== 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-9157]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-6383]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 5776-58-9
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658135 90658135]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266595 45266595]
−
* Wikipedia : Hypoglycin_B
+
* HMDB : HMDB02307
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C08280 C08280]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00894 C00894]
−
* HMDB : HMDB29428
+
* CHEBI:
−
{{#set: smiles=C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57367 57367]
−
{{#set: inchi key=InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M}}
+
* METABOLIGHTS : MTBLC57367
−
{{#set: common name=hypoglycin B}}
+
{{#set: smiles=C=CC(=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-]}}
−
{{#set: molecular weight=269.277   }}
+
{{#set: inchi key=InChIKey=POODSGUMUCVRTR-IEXPHMLFSA-J}}
−
{{#set: common name=hypoglycine B|L-gamma-glutamyl-L-hypoglycin|γ-glutamyl-β-(methylenecyclopropyl)-alanine|(2S)-2-amino-5-[[(2S)-1-hydroxy-3-[(1S)-2-methylidenecyclopropyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid}}
+
{{#set: common name=acryloyl-CoA}}
−
{{#set: produced by=RXN-9157}}
+
{{#set: molecular weight=817.551   }}
 +
{{#set: common name=acrylyl-coenzyme A|propenoyl-CoA|acrylyl-CoA}}
 +
{{#set: reversible reaction associated=RXN-6383}}

Revision as of 14:58, 21 March 2018

Metabolite ACRYLYL-COA

  • smiles:
    • C=CC(=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-]
  • inchi key:
    • InChIKey=POODSGUMUCVRTR-IEXPHMLFSA-J
  • common name:
    • acryloyl-CoA
  • molecular weight:
    • 817.551
  • Synonym(s):
    • acrylyl-coenzyme A
    • propenoyl-CoA
    • acrylyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 5776-58-9
  • PUBCHEM:
  • HMDB : HMDB02307
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57367
"C=CC(=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-" cannot be used as a page name in this wiki.



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