Difference between revisions of "CPD-170"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOYLCOA BENZOYLCOA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=CC=C1))COP(=O)(OP...")
(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(...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOYLCOA BENZOYLCOA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-170 CPD-170] ==
 
* smiles:
 
* smiles:
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** 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))
* inchi key:
+
** InChIKey=VEVJTUNLALKRNO-TYHXJLICSA-J
+
 
* common name:
 
* common name:
** benzoyl-CoA
+
** stachyose
 +
* inchi key:
 +
** InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N
 
* molecular weight:
 
* molecular weight:
** 867.61    
+
** 666.583    
 
* Synonym(s):
 
* Synonym(s):
** S-benzoate coenzyme A
+
** (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
** benzoyl-S-CoA
+
** 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 consume the compound ==
 +
* [[RXN-11501]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-2006]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2.4.1.67-RXN]]
 
== External links  ==
 
== External links  ==
* CAS : 102185-37-5
+
* CAS : 10094-58-3
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266596 45266596]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439531 439531]
* CHEBI:
+
* KEGG-GLYCAN : G00278
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57369 57369]
+
* HMDB : HMDB03553
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00512 C00512]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01613 C01613]
* HMDB : HMDB02252
+
* CHEMSPIDER:
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
** [http://www.chemspider.com/Chemical-Structure.388624.html 388624]
{{#set: inchi key=InChIKey=VEVJTUNLALKRNO-TYHXJLICSA-J}}
+
* CHEBI:
{{#set: common name=benzoyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17164 17164]
{{#set: molecular weight=867.61   }}
+
{{#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=S-benzoate coenzyme A|benzoyl-S-CoA}}
+
{{#set: common name=stachyose}}
{{#set: produced by=RXN-2006}}
+
{{#set: inchi key=InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N}}
 +
{{#set: molecular weight=666.583   }}
 +
{{#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: reversible reaction associated=2.4.1.67-RXN}}

Latest revision as of 20:06, 21 March 2018

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))
  • common name:
    • stachyose
  • inchi key:
    • InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N
  • molecular weight:
    • 666.583
  • 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

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



{{#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}}