Difference between revisions of "3-KETOLACTOSE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-934 CPD0-934] == * smiles: ** CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(N...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOLACTOSE 3-KETOLACTOSE] == * smiles: ** C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-934 CPD0-934] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOLACTOSE 3-KETOLACTOSE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC8(C([O-])=O)(OC(C(O)CO)C(OC6(OC(C(CO)O)C(C(OC5(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC4(C(C(C(C(CO)O4)O)O)O))C5O)O))C6O)OP([O-])(=O)[O-]))C(OC7(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C7))C8))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC
+
** C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)
−
* inchi key:
+
−
** InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F
+
 
* common name:
 
* common name:
−
** glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate
+
** 3'-ketolactose
 +
* inchi key:
 +
** InChIKey=HKKHTABTHSUDBP-GIHCHDTPSA-N
 
* molecular weight:
 
* molecular weight:
−
** 3049.306    
+
** 340.283    
 
* Synonym(s):
 
* Synonym(s):
 +
** 3'-dehydro-β-D-galactosyl-β-D-glucopyranoside
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-14361]]
+
* [[KETOLACTOSE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
* KEGG-GLYCAN : G10531
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659315 90659315]
+
* HMDB : HMDB01030
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61999 61999]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27571 27571]
−
{{#set: smiles=CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC8(C([O-])=O)(OC(C(O)CO)C(OC6(OC(C(CO)O)C(C(OC5(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC4(C(C(C(C(CO)O4)O)O)O))C5O)O))C6O)OP([O-])(=O)[O-]))C(OC7(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C7))C8))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC}}
+
* PUBCHEM:
−
{{#set: inchi key=InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201057 25201057]
−
{{#set: common name=glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate}}
+
* LIGAND-CPD:
−
{{#set: molecular weight=3049.306   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05403 C05403]
−
{{#set: consumed by=RXN-14361}}
+
{{#set: smiles=C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)}}
 +
{{#set: common name=3'-ketolactose}}
 +
{{#set: inchi key=InChIKey=HKKHTABTHSUDBP-GIHCHDTPSA-N}}
 +
{{#set: molecular weight=340.283   }}
 +
{{#set: common name=3'-dehydro-β-D-galactosyl-β-D-glucopyranoside}}
 +
{{#set: consumed by=KETOLACTOSE-RXN}}

Latest revision as of 20:11, 21 March 2018

Metabolite 3-KETOLACTOSE

  • smiles:
    • C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)
  • common name:
    • 3'-ketolactose
  • inchi key:
    • InChIKey=HKKHTABTHSUDBP-GIHCHDTPSA-N
  • molecular weight:
    • 340.283
  • Synonym(s):
    • 3'-dehydro-β-D-galactosyl-β-D-glucopyranoside

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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