Difference between revisions of "3-KETOLACTOSE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3801 CPD-3801] == * smiles: ** C(C1(C(C(C(C(O1)OCC(C(C(C(C(=O)[O-])O)O)O)O)O)O)O))O * inchi...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3801 CPD-3801] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-934 CPD0-934] ==
 
* smiles:
 
* smiles:
** C(C1(C(C(C(C(O1)OCC(C(C(C(C(=O)[O-])O)O)O)O)O)O)O))O
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** 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
 
* inchi key:
 
* inchi key:
** InChIKey=MUUBPEHTAPZMCA-RQPDCMAESA-M
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** InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F
 
* common name:
 
* common name:
** melibionate
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** glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate
 
* molecular weight:
 
* molecular weight:
** 357.291    
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** 3049.306    
 
* Synonym(s):
 
* Synonym(s):
** melibionic acid
 
** 6-O-α-D-galactopyranosyl-D-gluconic acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-17754]]
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* [[RXN-14361]]
 
== 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:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202771 25202771]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659315 90659315]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=75299 75299]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61999 61999]
{{#set: smiles=C(C1(C(C(C(C(O1)OCC(C(C(C(C(=O)[O-])O)O)O)O)O)O)O))O}}
+
{{#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}}
{{#set: inchi key=InChIKey=MUUBPEHTAPZMCA-RQPDCMAESA-M}}
+
{{#set: inchi key=InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F}}
{{#set: common name=melibionate}}
+
{{#set: common name=glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate}}
{{#set: molecular weight=357.291   }}
+
{{#set: molecular weight=3049.306   }}
{{#set: common name=melibionic acid|6-O-α-D-galactopyranosyl-D-gluconic acid}}
+
{{#set: consumed by=RXN-14361}}
{{#set: consumed by=RXN-17754}}
+

Revision as of 17:14, 10 January 2018

Metabolite CPD0-934

  • 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
  • inchi key:
    • InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F
  • common name:
    • glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate
  • molecular weight:
    • 3049.306
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"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" cannot be used as a page name in this wiki.