Difference between revisions of "CPD-9700"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACET ACET] == * smiles: ** CC([O-])=O * inchi key: ** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M * co...")
(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...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACET ACET] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9700 CPD-9700] ==
 
* smiles:
 
* smiles:
** CC([O-])=O
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** C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)
 
* inchi key:
 
* inchi key:
** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M
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** InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M
 
* common name:
 
* common name:
** acetate
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** hypoglycin B
 
* molecular weight:
 
* molecular weight:
** 59.044    
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** 269.277    
 
* Synonym(s):
 
* Synonym(s):
** acetic acid
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** hypoglycine B
** ethanoic acid
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** 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
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ACETATE--COA-LIGASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-3]]
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* [[RXN-9157]]
* [[RXN0-3962]]
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* [[RXN-12726]]
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* [[3.1.1.47-RXN]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[3.5.1.98-RXN]]
 
* [[SULFOCYS-RXN]]
 
* [[ACETYLORNDEACET-RXN]]
 
* [[RXN-14728]]
 
* [[ACSERLY-RXN]]
 
* [[RXN-1744]]
 
 
== External links  ==
 
== External links  ==
* CAS : 64-19-7
 
* CAS : 71-50-1
 
* BIGG : 33590
 
* DRUGBANK : DB03166
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=175 175]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658135 90658135]
* HMDB : HMDB00042
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* Wikipedia : Hypoglycin_B
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00033 C00033]
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** [http://www.genome.jp/dbget-bin/www_bget?C08280 C08280]
* CHEMSPIDER:
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* HMDB : HMDB29428
** [http://www.chemspider.com/Chemical-Structure.170.html 170]
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{{#set: smiles=C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)}}
* CHEBI:
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{{#set: inchi key=InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30089 30089]
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{{#set: common name=hypoglycin B}}
* METABOLIGHTS : MTBLC30089
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{{#set: molecular weight=269.277   }}
{{#set: smiles=CC([O-])=O}}
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{{#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: inchi key=InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M}}
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{{#set: produced by=RXN-9157}}
{{#set: common name=acetate}}
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{{#set: molecular weight=59.044   }}
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{{#set: common name=acetic acid|ethanoic acid}}
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{{#set: consumed by=ACETATE--COA-LIGASE-RXN}}
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{{#set: produced by=RXN66-3|RXN0-3962|RXN-12726|3.1.1.47-RXN}}
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{{#set: reversible reaction associated=3.5.1.98-RXN|SULFOCYS-RXN|ACETYLORNDEACET-RXN|RXN-14728|ACSERLY-RXN|RXN-1744}}
+

Latest revision as of 20:59, 21 March 2018

Metabolite CPD-9700

  • smiles:
    • C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)
  • inchi key:
    • InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M
  • common name:
    • hypoglycin B
  • molecular weight:
    • 269.277
  • Synonym(s):
    • 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

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • Wikipedia : Hypoglycin_B
  • LIGAND-CPD:
  • HMDB : HMDB29428
"C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)" cannot be used as a page name in this wiki.


{{#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}}