Difference between revisions of "CPD-170"

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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(...")
 
 
Line 3: Line 3:
 
* 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))
 
** 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))
−
* common name:
 
−
** stachyose
 
−
* inchi key:
 
−
** InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N
 
 
* molecular weight:
 
* molecular weight:
 
** 666.583     
 
** 666.583     
 +
* inchi key:
 +
** InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N
 +
* common name:
 +
** stachyose
 
* 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
 
** (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
Line 19: Line 19:
 
* [[2.4.1.67-RXN]]
 
* [[2.4.1.67-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 10094-58-3
+
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.388624.html 388624]
 
* PUBCHEM:
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439531 439531]
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439531 439531]
 +
* REFMET : Stachyose
 
* KEGG-GLYCAN : G00278
 
* KEGG-GLYCAN : G00278
−
* HMDB : HMDB03553
 
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C01613 C01613]
 
−
* CHEMSPIDER:
 
−
** [http://www.chemspider.com/Chemical-Structure.388624.html 388624]
 
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17164 17164]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17164 17164]
 +
* CAS : 10094-58-3
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01613 C01613]
 +
* HMDB : HMDB03553
 
{{#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))}}
 
{{#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))}}
−
{{#set: common name=stachyose}}
 
−
{{#set: inchi key=InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N}}
 
 
{{#set: molecular weight=666.583    }}
 
{{#set: molecular weight=666.583    }}
 +
{{#set: inchi key=InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N}}
 +
{{#set: common name=stachyose}}
 
{{#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: 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: consumed by=RXN-11501}}
 
{{#set: consumed by=RXN-11501}}
 
{{#set: reversible reaction associated=2.4.1.67-RXN}}
 
{{#set: reversible reaction associated=2.4.1.67-RXN}}

Latest revision as of 14:06, 10 January 2019

Metabolite 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(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))
  • molecular weight:
    • 666.583
  • inchi key:
    • InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N
  • common name:
    • stachyose
  • 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
    • α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CHEMSPIDER:
  • PUBCHEM:
  • REFMET : Stachyose
  • KEGG-GLYCAN : G00278
  • CHEBI:
  • CAS : 10094-58-3
  • LIGAND-CPD:
  • HMDB : HMDB03553



{{#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}}


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