Difference between revisions of "CPD-1099"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=1.21.3.1-RXN 1.21.3.1-RXN] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.o...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1099 CPD-1099] == * smiles: ** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=1.21.3.1-RXN 1.21.3.1-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1099 CPD-1099] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/1.21.3.1 EC-1.21.3.1]
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** raffinose
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* inchi key:
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** InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
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* molecular weight:
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** 504.441   
 
* Synonym(s):
 
* Synonym(s):
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** melitose
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** melitriose
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** gossypose
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** 6G-α-D-galactosylsucrose
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** (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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** α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
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** α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside
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** D-raffinose
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[RFH]]
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** 1 [[N-5S-5-AMINO-5-CARBOXYPENTANOYL-L-CY]][c] '''+''' 1 [[OXYGEN-MOLECULE]][c] '''=>''' 1 [[ISOPENICILLIN-N]][c] '''+''' 2 [[WATER]][c]
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* [[RXN-11502]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine[c] '''+''' 1 oxygen[c] '''=>''' 1 isopenicillin N[c] '''+''' 2 H2O[c]
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* [[RXN-11501]]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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* [[2.4.1.67-RXN]]
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Genes have been associated with this reaction based on different elements listed below.
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* Gene: [[Tiso_gene_3330]]
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** Source: [[orthology-esiliculosus]]
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== Pathways  ==
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* [[PWY-5629]], isopenicillin N biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5629 PWY-5629]
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** '''1''' reactions found over '''2''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* CAS : 512-69-6
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=22428 22428]
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* PUBCHEM:
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* LIGAND-RXN:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439242 439242]
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** [http://www.genome.jp/dbget-bin/www_bget?R04872 R04872]
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* KEGG-GLYCAN : G00249
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{{#set: direction=LEFT-TO-RIGHT}}
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* HMDB : HMDB03213
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{{#set: ec number=EC-1.21.3.1}}
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* LIGAND-CPD:
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{{#set: gene associated=Tiso_gene_3330}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00492 C00492]
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{{#set: in pathway=PWY-5629}}
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* CHEMSPIDER:
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{{#set: reconstruction category=orthology}}
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** [http://www.chemspider.com/Chemical-Structure.388379.html 388379]
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{{#set: reconstruction source=orthology-esiliculosus}}
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* CHEBI:
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{{#set: reconstruction tool=pantograph}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16634 16634]
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* METABOLIGHTS : MTBLC16634
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{{#set: smiles=C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)}}
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{{#set: common name=raffinose}}
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{{#set: inchi key=InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N}}
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{{#set: molecular weight=504.441    }}
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{{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}}
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{{#set: consumed by=RFH|RXN-11502}}
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{{#set: produced by=RXN-11501}}
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{{#set: reversible reaction associated=2.4.1.67-RXN}}

Latest revision as of 20:13, 21 March 2018

Metabolite CPD-1099

  • smiles:
    • C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)
  • common name:
    • raffinose
  • inchi key:
    • InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
  • molecular weight:
    • 504.441
  • Synonym(s):
    • melitose
    • melitriose
    • gossypose
    • 6G-α-D-galactosylsucrose
    • (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
    • α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside
    • D-raffinose

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 512-69-6
  • PUBCHEM:
  • KEGG-GLYCAN : G00249
  • HMDB : HMDB03213
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16634



{{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}}


Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-1099&oldid=40223"