Difference between revisions of "AMINO-ACETONE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12199 CPD-12199] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AMINO-ACETONE AMINO-ACETONE] == * smiles: ** CC(C[N+])=O * inchi key: ** InChIKey=BCDGQXUMWHRQC...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12199 CPD-12199] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AMINO-ACETONE AMINO-ACETONE] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** CC(C[N+])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J
+
** InChIKey=BCDGQXUMWHRQCB-UHFFFAOYSA-O
 
* common name:
 
* common name:
−
** 3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA
+
** aminoacetone
 
* molecular weight:
 
* molecular weight:
−
** 927.663    
+
** 74.102    
 
* Synonym(s):
 
* Synonym(s):
−
** 3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11245]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-11244]]
+
* [[RXN-14249]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 298-08-8
 +
* METABOLIGHTS : MTBLC58320
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173446 46173446]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3692773 3692773]
 +
* HMDB : HMDB02134
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01888 C01888]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.2924867.html 2924867]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73549 73549]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58320 58320]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
* BIGG : aact
−
{{#set: inchi key=InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J}}
+
{{#set: smiles=CC(C[N+])=O}}
−
{{#set: common name=3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA}}
+
{{#set: inchi key=InChIKey=BCDGQXUMWHRQCB-UHFFFAOYSA-O}}
−
{{#set: molecular weight=927.663   }}
+
{{#set: common name=aminoacetone}}
−
{{#set: common name=3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA}}
+
{{#set: molecular weight=74.102   }}
−
{{#set: consumed by=RXN-11245}}
+
{{#set: produced by=RXN-14249}}
−
{{#set: produced by=RXN-11244}}
+

Revision as of 16:11, 23 May 2018

Metabolite AMINO-ACETONE

  • smiles:
    • CC(C[N+])=O
  • inchi key:
    • InChIKey=BCDGQXUMWHRQCB-UHFFFAOYSA-O
  • common name:
    • aminoacetone
  • molecular weight:
    • 74.102
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 298-08-8
  • METABOLIGHTS : MTBLC58320
  • PUBCHEM:
  • HMDB : HMDB02134
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : aact
"CC(C[N+])=O" cannot be used as a page name in this wiki.



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