Basic information
- CAS
91841-27-9- 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@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC- InChIKey
KVJWZTLXIROHIL-QDORLFPLSA-N- Molecular formula
- C68H130N2O23P2
- Average molar mass
- 1,405.7 g/mol
- Monoisotopic mass
- 1,404.85396168
Overview
Lipid IVA is a tetra-acylated lipid A produced by E. coli as an intermediate in the lipid A biosynthetic pathway. It is a conjugate acid of a lipid IVA(4-).
Names & identifiers
- Preferred name
- Lipid A 406
- IUPAC
- [(2R,3S,4R,5R,6R)-3-hydroxy-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-5-phosphonooxyoxan-2-yl]oxymethyl]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxytetradecanoate
- English name
- LIPID IVA
- Molecular formula
- C68H130N2O23P2
- Molecular weight
- 1405.71
Names & synonyms
Lipid IVA91841-27-9lipid IV(A)Lipid A 406Lipid A disaccharide bisphosphate4P9U7Y4A4JCHEBI:29056DTXSID3013444662-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose2-deoxy-6-O-(2-deoxy-3-O-((3R)-3-hydroxytetradecanoyl)-2-((3R)-3-hydroxytetradecanamido)-4-O-phosphono-beta-D-glucopyranosyl)-3-O-((3R)-3-hydroxytetradecanoyl)-2-((3R)-3-hydroxytetradecanamido)-1-O-phosphono-alpha-D-glucopyranoseRefChem:153593DTXCID001773082
Show more names
LA-14-PPPRECURSOR LACOMPOUND 406, LA-14-PP, PRECURSOR LA2-DEOXY-6-O-[2-DEOXY-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYLAMINO]-BETA-D-GLUCOPYRANOSYL]-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYL-AMINO]-ALPHA-D-GLUCOPYRANOSE 1,4'-DIPHOSPHATE
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 393 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 62
- Heavy atoms
- 95
- Formal charge
- 0
- Complexity
- 2,080
Experimental & physicochemical properties
LipidsLipids -> Saccharolipids [SL] -> Acylaminosugars [SL01] -> Tetraacylaminosugars [SL0104]
Physicochemical properties
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.10(Predicted)
Chemistry & industry
Suppliers3 total
BOC Sciences16314854226 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: Lipid IVA is a tetra-acylated lipid A produced by E. coli as an intermediate in the lipid A biosynthetic pathway. It is a conjugate acid of a lipid IVA(4-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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