Diphosphoryl heptaacyl lipid A

Molecular Formula: C₁₁₀H₂₀₈N₂O₂₆P₂

InChI: InChI=1/C110H208N2O26P2/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-82-98(117)130-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(135-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(134-110(103)138-140(126,127)128)89-129-109-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)131-99(118)81-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)133-109)137-139(123,124)125)136-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)132-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,123,124,125)(H2,126,127,128)/t90?,91?,92?,93?,94-,95-,103-,104-,105-,106-,107-,108-,109-,110-/m1/s1/f/h111-112,123-124,126-127H

InChIKey: InChIKey=VOXDTCSXQHOYKC-SBKFHVHPDK
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O

Names:
    C13909
    Diphosphoryl heptaacyl lipid A
    [(2R,3R,4R,5R,6R)-5-(3-dodecanoyloxytetradecanoylamino)-6-[[(2R,3R,4R,5R,6R)-5-(3-hexadecanoyloxytetradecanoylamino)-3-hydroxy-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxy-oxan-2-yl]methoxy]-2-(hydroxymethyl)-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 656814
    PubChem ID 854154