Showing Metabocard for lipid IVA (E. coli) (BASm0003584)

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Common Name	Lipid iva (e. coli)
Description	(2-N,3-O-bis(3-hydroxytetradecanoyl)-4-O-phosphono-beta-D-glucosaminyl)-(1->6)-(2-N,3-O-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl phosphate) is a substrate for tetraacyldisaccharide 4'-kinase. This is an enzyme that phosphorylates the 4'-position of a tetraacyldisaccharide 1-phosphate precursor (DS-1-P) of lipopolysaccharide lipid A. This lipid which is part of LPS, forms the outer membranes of Gram-negative bacteria. This enzyme catalyzes the chemical reaction: ATP + [2-N,3-O-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl]-(1->6)-[2- N,3-O-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl phosphate] <=> ADP + [2-N,3-O-bis(3-hydroxytetradecanoyl)-4-O-phosphono-beta-D-glucosaminyl]-(1->6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-beta-D- glucosaminyl phosphate]
Structure
Molecular Formula	C₆₈H₁₂₆N₂O₂₃P₂
Average Mass	1401.67520
Monoisotopic Mass	1400.82266
IUPAC Name	Not Available
Traditional Name	Not Available
CAS Registry Number	Not Available
SMILES	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
InChI Identifier	InChI=1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/p-4/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1
InChI Key	KVJWZTLXIROHIL-QDORLFPLSA-J
CHEBI ID	CHEBI:58603
MiMeDB ID	MMDBc0031751
State	Expected Solid
Water Solubility	Not Available
logS	Not Available
pKa (Strongest Acidic)	Not Available
pKa (Strongest Basic)	Not Available
Hydrogen Acceptor Count	Not Available
Hydrogen Donor Count	Not Available
Rotatable Bond Count	Not Available
Physiological Charge	Not Available
Formal Charge	Not Available
Polarizability	Not Available

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