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=HOP-2229-ENE HOP-2229-ENE] == * smiles: ** C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-934 CPD0-934] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOP-2229-ENE HOP-2229-ENE] ==
 
* 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=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))
 
* inchi key:
 
* inchi key:
−
** InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F
+
** InChIKey=HHXYJYBYNZMZKX-PYQRSULMSA-N
 
* common name:
 
* common name:
−
** glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate
+
** hop-22(29)-ene
 
* molecular weight:
 
* molecular weight:
−
** 3049.306    
+
** 410.725    
 
* Synonym(s):
 
* Synonym(s):
 +
** diploptene
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-14361]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[5.4.99.17-RXN]]
 
== 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=90659315 90659315]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=92155 92155]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.83200.html 83200]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61999 61999]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=4648 4648]
−
{{#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}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=QHKUHEQURQLSFA-JYYSNNMZSA-F}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06310 C06310]
−
{{#set: common name=glucosyl-(heptosyl)3-Kdo2-lipid A-phosphate}}
+
{{#set: smiles=C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))}}
−
{{#set: molecular weight=3049.306   }}
+
{{#set: inchi key=InChIKey=HHXYJYBYNZMZKX-PYQRSULMSA-N}}
−
{{#set: consumed by=RXN-14361}}
+
{{#set: common name=hop-22(29)-ene}}
 +
{{#set: molecular weight=410.725   }}
 +
{{#set: common name=diploptene}}
 +
{{#set: produced by=5.4.99.17-RXN}}

Revision as of 18:53, 18 March 2018

Metabolite HOP-2229-ENE

  • smiles:
    • C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))
  • inchi key:
    • InChIKey=HHXYJYBYNZMZKX-PYQRSULMSA-N
  • common name:
    • hop-22(29)-ene
  • molecular weight:
    • 410.725
  • Synonym(s):
    • diploptene

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))" cannot be used as a page name in this wiki.



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