Difference between revisions of "CPD-8613"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE] == * smiles: *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8613 CPD-8613] == * smiles: ** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C([...")
 
(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=2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8613 CPD-8613] ==
 
* smiles:
 
* smiles:
−
** CC(C)C(C([O-])=O)C(C([O-])=O)O
+
** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C([O-])=O)C(O)CC3)))CC4)))C
 
* inchi key:
 
* inchi key:
−
** InChIKey=RNQHMTFBUSSBJQ-CRCLSJGQSA-L
+
** InChIKey=GLCDBDRQLZKKOJ-LJAIZBFVSA-M
 
* common name:
 
* common name:
−
** (2R,3S)-3-isopropylmalate
+
** 4α-carboxy-4β-methyl-5α-cholesta-8-en-3β-ol
 
* molecular weight:
 
* molecular weight:
−
** 174.153    
+
** 443.688    
 
* Synonym(s):
 
* Synonym(s):
−
** 2-D-threo-hydroxy-3-carboxy-isocaproate
 
−
** 3-carboxy-2-hydroxy-4-methylpentanoate
 
−
** β-isopropylmalate
 
−
** 3-isopropylmalate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-13158]]
+
* [[RXN66-18]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-8991]]
 
−
* [[RXN-13163]]
 
−
* [[3-ISOPROPYLMALDEHYDROG-RXN]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6857402 6857402]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202943 25202943]
−
* HMDB : HMDB12156
+
* HMDB : HMDB12165
−
* LIGAND-CPD:
+
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C([O-])=O)C(O)CC3)))CC4)))C}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C04411 C04411]
+
{{#set: inchi key=InChIKey=GLCDBDRQLZKKOJ-LJAIZBFVSA-M}}
−
* CHEMSPIDER:
+
{{#set: common name=4α-carboxy-4β-methyl-5α-cholesta-8-en-3β-ol}}
−
** [http://www.chemspider.com/Chemical-Structure.5256741.html 5256741]
+
{{#set: molecular weight=443.688    }}
−
* CHEBI:
+
{{#set: consumed by=RXN66-18}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35121 35121]
+
−
* BIGG : 43761
+
−
{{#set: smiles=CC(C)C(C([O-])=O)C(C([O-])=O)O}}
+
−
{{#set: inchi key=InChIKey=RNQHMTFBUSSBJQ-CRCLSJGQSA-L}}
+
−
{{#set: common name=(2R,3S)-3-isopropylmalate}}
+
−
{{#set: molecular weight=174.153    }}
+
−
{{#set: common name=2-D-threo-hydroxy-3-carboxy-isocaproate|3-carboxy-2-hydroxy-4-methylpentanoate|β-isopropylmalate|3-isopropylmalate}}
+
−
{{#set: consumed by=RXN-13158}}
+
−
{{#set: reversible reaction associated=RXN-8991|RXN-13163|3-ISOPROPYLMALDEHYDROG-RXN}}
+

Latest revision as of 19:21, 21 March 2018

Metabolite CPD-8613

  • smiles:
    • CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C([O-])=O)C(O)CC3)))CC4)))C
  • inchi key:
    • InChIKey=GLCDBDRQLZKKOJ-LJAIZBFVSA-M
  • common name:
    • 4α-carboxy-4β-methyl-5α-cholesta-8-en-3β-ol
  • molecular weight:
    • 443.688
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C([O-])=O)C(O)CC3)))CC4)))C" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-8613&oldid=26357"