Basic information
- CAS
143600-83-3- Standard 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@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC- InChIKey
XAOLJGCZESYRFT-VHSKNIDJSA-N- Molecular formula
- C84H154N2O37P2
- Average molar mass
- 1,846.1 g/mol
- Monoisotopic mass
- 1,844.9705678
Overview
(KDO)2-lipid IVA is lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a (KDO)2-lipid IVA(6-).
Names & identifiers
- Preferred name
- 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)
- IUPAC
- (2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxyoxan-2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-3-phosphonooxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
- English name
- (2R,4R,5R,6R)-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4 ,5-dihydroxy-oxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[( 2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetra decanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxy-oxan -2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydrox ytetradecanoyl]oxy-3-phosphonooxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid
- Molecular formula
- C84H154N2O37P2
- Molecular weight
- 1846.06
Names & synonyms
143600-83-3Kdo(2)-lipid IV(A)3-Deoxy-2-octulosonic acid(2)-lipid IV(A)DTXSID201624773-Deoxy-D-manno-2-octulosonic acid(2)-lipid ivaRefChem:911268DTXCID7084968(2R,4R,5R,6R)-4-(((2R,4R,5R,6R)-2-carboxy-6-((1R)-1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl)oxy)-6-((1R)-1,2-dihydroxyethyl)-5-hydroxy-2-(((2R,3S,4R,5R,6R)-6-(((2R,3S,4R,5R,6R)-3-hydroxy-5-((3R)-3-hydroxytetradecanamido)-4-(((3R)-3-hydroxytetradecanoyl)oxy)-6-(phosphonooxy)oxan-2-yl)methoxy)-5-((3R)-3-hydroxytetradecanamido)-4-(((3R)-3-hydroxytetradecanoyl)oxy)-3-(phosphonooxy)oxan-2-yl)methoxy)oxane-2-carboxylic acid(KDO)2-lipid IVAKDO2-lipid IV(A)Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)SCHEMBL29393843
Show more names
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 626 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 37
- Rotatable bonds
- 72
- Heavy atoms
- 125
- Formal charge
- 0
- Complexity
- 3,090
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: (KDO)2-lipid IVA is lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a (KDO)2-lipid IVA(6-).
Related reactions
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Compound notes
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