Difference between revisions of "2-ACETO-LACTATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] == * smiles: ** CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ACETO-LACTATE 2-ACETO-LACTATE] == * smiles: ** CC(=O)C(C)(O)C(=O)[O-] * common name: ** (S)-2...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ACETO-LACTATE 2-ACETO-LACTATE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCC(=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-]
+
** CC(=O)C(C)(O)C(=O)[O-]
−
* inchi key:
+
−
** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
+
 
* common name:
 
* common name:
−
** octanoyl-CoA
+
** (S)-2-acetolactate
 +
* inchi key:
 +
** InChIKey=NMDWGEGFJUBKLB-YFKPBYRVSA-M
 
* molecular weight:
 
* molecular weight:
−
** 889.7    
+
** 131.108    
 
* Synonym(s):
 
* Synonym(s):
−
** Octanoyl-CoA (n-C8:0CoA)
+
** (S)-2-hydroxy-2-methyl-3-oxobutanoate
−
** capryloyl-CoA
+
** α-acetolactate
 +
** (2S)-2-hydroxy-2-methyl-3-oxobutanoate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12669]]
+
* [[RXN-6081]]
−
* [[ACOA80or]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13617]]
+
* [[ACETOLACTSYN-RXN]]
−
* [[R223-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14229]]
+
* [[ACETOLACTREDUCTOISOM-RXN]]
−
* [[ACACT4]]
+
* [[RXN-14037]]
 
== External links  ==
 
== External links  ==
−
* BIGG : occoa
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=13999770 13999770]
−
* HMDB : HMDB01070
+
* HMDB : HMDB06855
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06010 C06010]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.19951073.html 19951073]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58476 58476]
−
* METABOLIGHTS : MTBLC57386
+
* BIGG : alac__S
−
{{#set: smiles=CCCCCCCC(=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: smiles=CC(=O)C(C)(O)C(=O)[O-]}}
−
{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}}
+
{{#set: common name=(S)-2-acetolactate}}
−
{{#set: common name=octanoyl-CoA}}
+
{{#set: inchi key=InChIKey=NMDWGEGFJUBKLB-YFKPBYRVSA-M}}
−
{{#set: molecular weight=889.7   }}
+
{{#set: molecular weight=131.108   }}
−
{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}}
+
{{#set: common name=(S)-2-hydroxy-2-methyl-3-oxobutanoate|α-acetolactate|(2S)-2-hydroxy-2-methyl-3-oxobutanoate}}
−
{{#set: consumed by=RXN-12669|ACOA80or}}
+
{{#set: consumed by=RXN-6081}}
−
{{#set: produced by=RXN-13617|R223-RXN}}
+
{{#set: produced by=ACETOLACTSYN-RXN}}
−
{{#set: consumed or produced by=RXN-14229|ACACT4}}
+
{{#set: reversible reaction associated=ACETOLACTREDUCTOISOM-RXN|RXN-14037}}

Latest revision as of 21:24, 21 March 2018

Metabolite 2-ACETO-LACTATE

  • smiles:
    • CC(=O)C(C)(O)C(=O)[O-]
  • common name:
    • (S)-2-acetolactate
  • inchi key:
    • InChIKey=NMDWGEGFJUBKLB-YFKPBYRVSA-M
  • molecular weight:
    • 131.108
  • Synonym(s):
    • (S)-2-hydroxy-2-methyl-3-oxobutanoate
    • α-acetolactate
    • (2S)-2-hydroxy-2-methyl-3-oxobutanoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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




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