KDO-LIPID-IVA

Molecular Formula: C76H142N2O30P2


InChI: InChI=1/C76H142N2O30P2/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(86)77-65-71(104-63(88)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(91)59(102-74(65)108-110(97,98)99)51-100-73-66(78-62(87)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(105-64(89)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(107-109(94,95)96)60(103-73)52-101-76(75(92)93)49-57(84)67(90)69(106-76)58(85)50-79/h53-60,65-74,79-85,90-91H,5-52H2,1-4H3,(H,77,86)(H,78,87)(H,92,93)(H2,94,95,96)(H2,97,98,99)/f/h77-78,92,94-95,97-98H

InChIKey: InChIKey=GPNCBCJEDRRCDW-RAWFHWFHCO
SMILES: CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)O)O)C(=O)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)O)OC(=O)CC(CCCCCCCCCCC)O)O

Names:
    KDO-LIPID-IVA
    (KDO)-lipid IV(A)
    3-Deoxy-D-manno-octulosonyl-lipid IV(A)
    6-(1,2-dihydroxyethyl)-4,5-dihydroxy-2-[[6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxy-oxan-2-yl]methoxy]-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-3-phosphonooxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid

Registries:
    PubChem CID 819
    PubChem ID 2843