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Escherichia coli K-12 substr. MG1655 Compound: Kdo2-lipid IVA with palmitoleoyl

Superclasses: a lipid a bacterial endotoxin a lipopolysaccharide a 3-deoxyoctulosonyl-lipopolysaccharide
a secondary metabolite a toxin a bacterial endotoxin a lipopolysaccharide a 3-deoxyoctulosonyl-lipopolysaccharide
all carbohydrates a carbohydrate a glycan a polysaccharide a lipopolysaccharide a 3-deoxyoctulosonyl-lipopolysaccharide

Chemical Formula: C100H178N2O38P2

Molecular Weight: 2078.4 Daltons

Monoisotopic Molecular Weight: 2083.2002325766 Daltons

Kdo<sub>2</sub>-lipid IV<sub>A</sub> with palmitoleoyl compound structure

SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC3(C(OC(COC1(CC(C(C(O1)C(CO)O)O)OC2(CC(C(C(O2)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(OP(=O)([O-])[O-])C(OC(=O)CC(O)CCCCCCCCCCC)3)OCC4(C(C(C(C(OP([O-])(=O)[O-])O4)NC(CC(CCCCCCCCCCC)O)=O)OC(CC(CCCCCCCCCCC)O)=O)O))

InChI: InChI=1S/C100H184N2O38P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-82(113)131-73(58-53-48-43-38-30-25-20-15-10-5)63-81(112)102-86-94(135-84(115)62-72(107)57-52-47-42-37-29-24-19-14-9-4)92(139-141(123,124)125)79(69-130-99(97(119)120)65-77(88(117)91(137-99)76(110)67-104)136-100(98(121)122)64-74(108)87(116)90(138-100)75(109)66-103)133-95(86)129-68-78-89(118)93(134-83(114)61-71(106)56-51-46-41-36-28-23-18-13-8-3)85(96(132-78)140-142(126,127)128)101-80(111)60-70(105)55-50-45-40-35-27-22-17-12-7-2/h70-79,85-96,103-110,116-118H,6-69H2,1-5H3,(H,101,111)(H,102,112)(H,119,120)(H,121,122)(H2,123,124,125)(H2,126,127,128)/p-6/t70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,99-,100-/m1/s1

InChIKey: InChIKey=LDKYKDQAKNLWER-RLUYZOBBSA-H

Unification Links: IAF1260:1485724 , PubChem:46173355

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -1426.19

In Reactions of unknown directionality:

Not in pathways:
a lipopolysaccharide + dTDP-β-L-rhamnose = a rhamnosyl lipopolysaccharide + dTDP
a lipopolysaccharide + UDP-N-acetyl-α-D-glucosamine = a N-acetyl-α-D-glucosaminyl-lipopolysaccharide + UDP
UDP-α-D-glucose + a lipopolysaccharide = a D-glucosyl-lipopolysaccharide + UDP

In Transport reactions:
a lipopolysaccharide[cytosol]a lipopolysaccharide[extracellular space] ,
a lipopolysaccharide[cytosol] + ATP + H2O → a lipopolysaccharide[periplasmic space] + ADP + phosphate + H+

Credits:
Created 14-Dec-2009 by Kothari A , SRI International


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 19.0 on Sat Apr 25, 2015, biocyc11.