Difference between revisions of "KDO2-LIPID-A"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10244 CPD-10244] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-] * common name: ** doc...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KDO2-LIPID-A KDO2-LIPID-A] == * smiles: ** CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10244 CPD-10244] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KDO2-LIPID-A KDO2-LIPID-A] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]
+
** CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
 
* common name:
 
* common name:
−
** docosahexaenoate
+
** α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A
 
* inchi key:
 
* inchi key:
−
** InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-M
+
** InChIKey=DIXUKJUHGLIZGU-PPLOIMQXSA-H
 
* molecular weight:
 
* molecular weight:
−
** 327.486    
+
** 2232.696    
 
* Synonym(s):
 
* Synonym(s):
−
** docosahexaenoic acid
+
** Re endotoxin
−
** DHA
+
** (Kdo)2-lipid A
−
** all-cis-docosa-4,7,10,13,16,19-hexaenoate
+
** Kdo2-lipid A
−
** (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
+
−
** (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16138]]
+
* [[MYRISTOYLACYLTRAN-RXN]]
−
* [[RXN-16017]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-16063]]
 
 
== External links  ==
 
== External links  ==
−
* LIPID_MAPS : LMFA01030185
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=40486925 40486925]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820278 91820278]
−
* DRUGBANK : DB03756
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=77016 77016]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58540 58540]
−
* HMDB : HMDB02183
+
* BIGG : lipa
−
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]}}
+
* LIGAND-CPD:
−
{{#set: common name=docosahexaenoate}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06026 C06026]
−
{{#set: inchi key=InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-M}}
+
{{#set: smiles=CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)}}
−
{{#set: molecular weight=327.486   }}
+
{{#set: common name=α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A}}
−
{{#set: common name=docosahexaenoic acid|DHA|all-cis-docosa-4,7,10,13,16,19-hexaenoate|(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate}}
+
{{#set: inchi key=InChIKey=DIXUKJUHGLIZGU-PPLOIMQXSA-H}}
−
{{#set: produced by=RXN-16138|RXN-16017}}
+
{{#set: molecular weight=2232.696   }}
−
{{#set: reversible reaction associated=RXN-16063}}
+
{{#set: common name=Re endotoxin|(Kdo)2-lipid A|Kdo2-lipid A}}
 +
{{#set: produced by=MYRISTOYLACYLTRAN-RXN}}

Latest revision as of 20:18, 21 March 2018

Metabolite KDO2-LIPID-A

  • smiles:
    • CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
  • common name:
    • α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A
  • inchi key:
    • InChIKey=DIXUKJUHGLIZGU-PPLOIMQXSA-H
  • molecular weight:
    • 2232.696
  • Synonym(s):
    • Re endotoxin
    • (Kdo)2-lipid A
    • Kdo2-lipid A

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=KDO2-LIPID-A&oldid=47588"