Difference between revisions of "CPD-31"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-170 CPD-170] == * smiles: ** C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-31 CPD-31] == * smiles: ** CC(O)(C(=O)[O-])CC(=O)[O-] * common name: ** (R)-citramalate * i...")
 
(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=CPD-170 CPD-170] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-31 CPD-31] ==
 
* smiles:
 
* smiles:
−
** C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))
+
** CC(O)(C(=O)[O-])CC(=O)[O-]
−
* inchi key:
+
−
** InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N
+
 
* common name:
 
* common name:
−
** stachyose
+
** (R)-citramalate
 +
* inchi key:
 +
** InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L
 
* molecular weight:
 
* molecular weight:
−
** 666.583    
+
** 146.099    
 
* Synonym(s):
 
* Synonym(s):
−
** (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
+
** (R)-2-methylmalic acid
−
** α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
+
** (3R)-citramalate
 +
** (3R)-citramalic acid
 +
** (3R)-α-hydroxypyrotartaric acid
 +
** D-citramalate
 +
** D-citramalic acid
 +
** D-α-hydroxypyrotartaric acid
 +
** (R)-2-methylmalate
 +
** (R)-(-)-citramalic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11501]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-7743]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[2.4.1.67-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 10094-58-3
+
* CAS : 6236-10-8
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439531 439531]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460281 5460281]
−
* KEGG-GLYCAN : G00278
+
−
* HMDB : HMDB03553
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01613 C01613]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.388624.html 388624]
+
** [http://www.chemspider.com/Chemical-Structure.4573870.html 4573870]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17164 17164]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30934 30934]
−
{{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02612 C02612]
−
{{#set: common name=stachyose}}
+
{{#set: smiles=CC(O)(C(=O)[O-])CC(=O)[O-]}}
−
{{#set: molecular weight=666.583   }}
+
{{#set: common name=(R)-citramalate}}
−
{{#set: common name=(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf}}
+
{{#set: inchi key=InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L}}
−
{{#set: consumed by=RXN-11501}}
+
{{#set: molecular weight=146.099   }}
−
{{#set: reversible reaction associated=2.4.1.67-RXN}}
+
{{#set: common name=(R)-2-methylmalic acid|(3R)-citramalate|(3R)-citramalic acid|(3R)-α-hydroxypyrotartaric acid|D-citramalate|D-citramalic acid|D-α-hydroxypyrotartaric acid|(R)-2-methylmalate|(R)-(-)-citramalic acid}}
 +
{{#set: produced by=RXN-7743}}

Latest revision as of 20:06, 21 March 2018

Metabolite CPD-31

  • smiles:
    • CC(O)(C(=O)[O-])CC(=O)[O-]
  • common name:
    • (R)-citramalate
  • inchi key:
    • InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L
  • molecular weight:
    • 146.099
  • Synonym(s):
    • (R)-2-methylmalic acid
    • (3R)-citramalate
    • (3R)-citramalic acid
    • (3R)-α-hydroxypyrotartaric acid
    • D-citramalate
    • D-citramalic acid
    • D-α-hydroxypyrotartaric acid
    • (R)-2-methylmalate
    • (R)-(-)-citramalic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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