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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010221

lipid IVA(4-)

Formula: C68H126N2O23P2-4  |  Mol. Weight: 1401.70 g/mol

IUPAC: [(2R,3R,4R,5S,6R)-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-5-phosphonatooxyoxan-2-yl]oxymethyl]-3-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxyoxan-2-yl] phosphate

Overview

Molecular Formula C68H126N2O23P2-4
Molecular Weight 1401.70 g/mol
Canonical SMILES CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)([O-])[O-])COC2C(C(C(C(O2)CO)OP(=O)([O-])[O-])OC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)O)OC(=O)CC(CCCCCCCCCCC)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy