Difference between revisions of "CPD-397"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MI-HEXAKISPHOSPHATE MI-HEXAKISPHOSPHATE] == * smiles: ** C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] == * smiles: ** CC(C([O-])=O)CO * inchi key: ** InChIKey=DBXBTMSZEOQQDU-VK...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MI-HEXAKISPHOSPHATE MI-HEXAKISPHOSPHATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] ==
 
* smiles:
 
* smiles:
−
** C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)1)
+
** CC(C([O-])=O)CO
 
* inchi key:
 
* inchi key:
−
** InChIKey=IMQLKJBTEOYOSI-GPIVLXJGSA-B
+
** InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M
 
* common name:
 
* common name:
−
** phytate
+
** (S)-3-hydroxy-isobutanoate
 
* molecular weight:
 
* molecular weight:
−
** 647.942    
+
** 103.097    
 
* Synonym(s):
 
* Synonym(s):
−
** phytic acid
+
** (S)-3-hydroxy-2-methylpropanoate
−
** 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate
+
** (S)-3-Hydroxyisobutyric acid
−
** myo-inositol hexakisphosphate
+
** (S)-3-OH-iso-but
−
** D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate
+
** (S)-3-OH-isobutyrate
−
** myo-Inositol 1,2,3,4,5,6-hexakisphosphate
+
** (S)-3-hydroxy-isobutyrate
−
** Inositol 1,2,3,4,5,6-hexakisphosphate
+
−
** InsP6
+
−
** 1D-myo-Inositol hexakisphosphate
+
−
** IP6
+
−
** inositol hexaphosphate
+
  
 
== 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-7163]]
+
* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* METABOLIGHTS : MTBLC58130
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21584050 21584050]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18637352 18637352]
−
* HMDB : HMDB03502
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01204 C01204]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.10618952.html 10618952]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58130 58130]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62638 62638]
−
* BIGG : minohp
+
* LIGAND-CPD:
−
{{#set: smiles=C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)1)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06001 C06001]
−
{{#set: inchi key=InChIKey=IMQLKJBTEOYOSI-GPIVLXJGSA-B}}
+
* HMDB : HMDB00023
−
{{#set: common name=phytate}}
+
{{#set: smiles=CC(C([O-])=O)CO}}
−
{{#set: molecular weight=647.942   }}
+
{{#set: inchi key=InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M}}
−
{{#set: common name=phytic acid|1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate|myo-inositol hexakisphosphate|D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate|myo-Inositol 1,2,3,4,5,6-hexakisphosphate|Inositol 1,2,3,4,5,6-hexakisphosphate|InsP6|1D-myo-Inositol hexakisphosphate|IP6|inositol hexaphosphate}}
+
{{#set: common name=(S)-3-hydroxy-isobutanoate}}
−
{{#set: produced by=RXN-7163}}
+
{{#set: molecular weight=103.097   }}
 +
{{#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: consumed by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
 +
{{#set: produced by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}

Revision as of 18:19, 10 January 2018

Metabolite CPD-12175

  • smiles:
    • CC(C([O-])=O)CO
  • inchi key:
    • InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M
  • common name:
    • (S)-3-hydroxy-isobutanoate
  • 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.




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