Triacyl lipid A

Molecular Formula: C52H100N2O20P2


InChI: InChI=1/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39+,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1/f/h53-54,63-64,66-67H

InChIKey: InChIKey=GOWLTLODGKPXMN-LLDKTGIIDV
SMILES: CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O

Names:
    C13907
    OM-174
    Triacyl lipid A OM-174
    Triacyl lipid A
    [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3S)-3-dodecanoyloxytetradecanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 656812
    PubChem ID 854152