Difference between revisions of "3-CARBOXY-3-HYDROXY-ISOCAPROATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-CARBOXY-3-HYDROXY-ISOCAPROATE 3-CARBOXY-3-HYDROXY-ISOCAPROATE] == * smiles: ** CC(C(O)(CC(=O)...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-CARBOXY-3-HYDROXY-ISOCAPROATE 3-CARBOXY-3-HYDROXY-ISOCAPROATE] ==
 
* smiles:
 
* smiles:
−
** CCCC(CC(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-])=O)=O
+
** CC(C(O)(CC(=O)[O-])C([O-])=O)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
+
** InChIKey=BITYXLXUCSKTJS-UHFFFAOYSA-L
 
* common name:
 
* common name:
−
** 3-oxohexanoyl-CoA
+
** (2S)-2-isopropylmalate
 
* molecular weight:
 
* molecular weight:
−
** 875.63    
+
** 174.153    
 
* Synonym(s):
 
* Synonym(s):
−
** ketohexanoyl-CoA
+
** 3-hydroxy-4-methyl-3-carboxypentanoate
−
** β-hexanoyl-CoA
+
** 3-carboxy-3-hydroxy-4-methylpentanoate
−
** ketohexanoyl-coenzyme-A
+
** 3-carboxy-3-hydroxy-isocaproate
−
** 3-ketohexanoyl-CoA
+
** α-isopropylmalate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12570]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12565]]
+
* [[2-ISOPROPYLMALATESYN-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[3-ISOPROPYLMALISOM-RXN]]
 +
* [[RXN-13163]]
 
== External links  ==
 
== External links  ==
−
* CAS : 19774-86-8
 
−
* BIGG : 45468
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53239804 53239804]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6419726 6419726]
−
* HMDB : HMDB03943
+
* HMDB : HMDB00402
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05269 C05269]
+
** [http://www.genome.jp/dbget-bin/www_bget?C02504 C02504]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4925359.html 4925359]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62418 62418]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28107 28107]
−
* METABOLIGHTS : MTBLC27648
+
* BIGG : 39972
−
{{#set: smiles=CCCC(CC(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-])=O)=O}}
+
{{#set: smiles=CC(C(O)(CC(=O)[O-])C([O-])=O)C}}
−
{{#set: inchi key=InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J}}
+
{{#set: inchi key=InChIKey=BITYXLXUCSKTJS-UHFFFAOYSA-L}}
−
{{#set: common name=3-oxohexanoyl-CoA}}
+
{{#set: common name=(2S)-2-isopropylmalate}}
−
{{#set: molecular weight=875.63   }}
+
{{#set: molecular weight=174.153   }}
−
{{#set: common name=ketohexanoyl-CoA|β-hexanoyl-CoA|ketohexanoyl-coenzyme-A|3-ketohexanoyl-CoA}}
+
{{#set: common name=3-hydroxy-4-methyl-3-carboxypentanoate|3-carboxy-3-hydroxy-4-methylpentanoate|3-carboxy-3-hydroxy-isocaproate|α-isopropylmalate}}
−
{{#set: consumed by=RXN-12570}}
+
{{#set: produced by=2-ISOPROPYLMALATESYN-RXN}}
−
{{#set: produced by=RXN-12565}}
+
{{#set: reversible reaction associated=3-ISOPROPYLMALISOM-RXN|RXN-13163}}

Latest revision as of 20:24, 21 March 2018

Metabolite 3-CARBOXY-3-HYDROXY-ISOCAPROATE

  • smiles:
    • CC(C(O)(CC(=O)[O-])C([O-])=O)C
  • inchi key:
    • InChIKey=BITYXLXUCSKTJS-UHFFFAOYSA-L
  • common name:
    • (2S)-2-isopropylmalate
  • molecular weight:
    • 174.153
  • Synonym(s):
    • 3-hydroxy-4-methyl-3-carboxypentanoate
    • 3-carboxy-3-hydroxy-4-methylpentanoate
    • 3-carboxy-3-hydroxy-isocaproate
    • α-isopropylmalate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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




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