Difference between revisions of "KDO2-LIPID-IVA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLYL_MANDELATE VANILLYL_MANDELATE] == * smiles: ** COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-]) * inch...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLYL_MANDELATE VANILLYL_MANDELATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KDO2-LIPID-IVA KDO2-LIPID-IVA] ==
 
* smiles:
 
* smiles:
−
** COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])
+
** CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC4(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))C4))OP([O-])([O-])=O))
 +
* molecular weight:
 +
** 1840.032   
 
* inchi key:
 
* inchi key:
−
** InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M
+
** InChIKey=XAOLJGCZESYRFT-RAINXGQXSA-H
 
* common name:
 
* common name:
−
** vanillyl mandelate
+
** α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IVA
−
* molecular weight:
+
−
** 197.167   
+
 
* Synonym(s):
 
* Synonym(s):
−
** 4-hydroxy-3-methoxymandelate
+
** (Kdo)2-lipid IVA
−
** vanillylmandelic acid
+
−
** 3-methoxy-4-hydroxymandelate
+
  
 
== 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-10917]]
+
* [[KDOTRANS2-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 55-10-7
+
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60365 60365]
 +
* BIGG : kdo2lipid4
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6931438 6931438]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820576 91820576]
−
* HMDB : HMDB00291
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05584 C05584]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06025 C06025]
−
* CHEMSPIDER:
+
{{#set: smiles=CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC4(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))C4))OP([O-])([O-])=O))}}
−
** [http://www.chemspider.com/Chemical-Structure.19951553.html 19951553]
+
{{#set: molecular weight=1840.032    }}
−
* CHEBI:
+
{{#set: inchi key=InChIKey=XAOLJGCZESYRFT-RAINXGQXSA-H}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27622 27622]
+
{{#set: common name=α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IVA}}
−
* METABOLIGHTS : MTBLC27622
+
{{#set: common name=(Kdo)2-lipid IVA}}
−
{{#set: smiles=COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])}}
+
{{#set: produced by=KDOTRANS2-RXN}}
−
{{#set: inchi key=InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M}}
+
−
{{#set: common name=vanillyl mandelate}}
+
−
{{#set: molecular weight=197.167    }}
+
−
{{#set: common name=4-hydroxy-3-methoxymandelate|vanillylmandelic acid|3-methoxy-4-hydroxymandelate}}
+
−
{{#set: produced by=RXN-10917}}
+

Latest revision as of 15:28, 9 January 2019

Metabolite KDO2-LIPID-IVA

  • smiles:
    • CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC4(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))C4))OP([O-])([O-])=O))
  • molecular weight:
    • 1840.032
  • inchi key:
    • InChIKey=XAOLJGCZESYRFT-RAINXGQXSA-H
  • common name:
    • α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IVA
  • Synonym(s):
    • (Kdo)2-lipid IVA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC4(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))C4))OP([O-])([O-])=O))" cannot be used as a page name in this wiki.


"α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IVA" cannot be used as a page name in this wiki.


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