Difference between revisions of "CPD-12175"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-731 CPD-731] == * smiles: ** CCC=CCC1(C(=O)CCC1CC([O-])=O) * inchi key: ** InChIKey=ZNJFBWY...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] == * smiles: ** CC(C([O-])=O)CO * common name: ** (S)-3-hydroxy-isobutanoa...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-731 CPD-731] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] ==
 
* smiles:
 
* smiles:
** CCC=CCC1(C(=O)CCC1CC([O-])=O)
+
** CC(C([O-])=O)CO
* inchi key:
+
** InChIKey=ZNJFBWYDHIGLCU-QKMQQOOLSA-M
+
 
* common name:
 
* common name:
** (+)-7-iso-jasmonate
+
** (S)-3-hydroxy-isobutanoate
 +
* inchi key:
 +
** InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M
 
* molecular weight:
 
* molecular weight:
** 209.264    
+
** 103.097    
 
* Synonym(s):
 
* Synonym(s):
** (+)-7-iso-jasmonic acid
+
** (S)-3-hydroxy-2-methylpropanoate
** iso-jasmonic acid
+
** (S)-3-Hydroxyisobutyric acid
** (3R,7S)-(+)-7-iso-jasmonate
+
** (S)-3-OH-iso-but
 +
** (S)-3-OH-isobutyrate
 +
** (S)-3-hydroxy-isobutyrate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10708]]
+
* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMFA02020003
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7251182 7251182]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18637352 18637352]
* CHEMSPIDER:
+
* HMDB : HMDB00023
** [http://www.chemspider.com/Chemical-Structure.5584838.html 5584838]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18435 18435]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62638 62638]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C16317 C16317]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06001 C06001]
{{#set: smiles=CCC=CCC1(C(=O)CCC1CC([O-])=O)}}
+
{{#set: smiles=CC(C([O-])=O)CO}}
{{#set: inchi key=InChIKey=ZNJFBWYDHIGLCU-QKMQQOOLSA-M}}
+
{{#set: common name=(S)-3-hydroxy-isobutanoate}}
{{#set: common name=(+)-7-iso-jasmonate}}
+
{{#set: inchi key=InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M}}
{{#set: molecular weight=209.264   }}
+
{{#set: molecular weight=103.097   }}
{{#set: common name=(+)-7-iso-jasmonic acid|iso-jasmonic acid|(3R,7S)-(+)-7-iso-jasmonate}}
+
{{#set: common name=(S)-3-hydroxy-2-methylpropanoate|(S)-3-Hydroxyisobutyric acid|(S)-3-OH-iso-but|(S)-3-OH-isobutyrate|(S)-3-hydroxy-isobutyrate}}
{{#set: produced by=RXN-10708}}
+
{{#set: consumed by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
 +
{{#set: produced by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}

Latest revision as of 21:13, 21 March 2018

Metabolite CPD-12175

  • smiles:
    • CC(C([O-])=O)CO
  • common name:
    • (S)-3-hydroxy-isobutanoate
  • inchi key:
    • InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M
  • molecular weight:
    • 103.097
  • Synonym(s):
    • (S)-3-hydroxy-2-methylpropanoate
    • (S)-3-Hydroxyisobutyric acid
    • (S)-3-OH-iso-but
    • (S)-3-OH-isobutyrate
    • (S)-3-hydroxy-isobutyrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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