(beta-l-ara4n)2-(kdo)2-lipid a

Structural Information

Molecular Formula

C₁₂₀H₂₂₀N₄O₄₅P₂

SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)OC2C(C(C(CO2)N)O)O)COC3(CC(C(C(O3)C(CO)O)O)OC4(CC(C(C(O4)C(CO)O)O)O)C(=O)O)C(=O)O)OCC5C(C(C(C(O5)OP(=O)(O)OC6C(C(C(CO6)N)O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C120H220N4O45P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-96(135)158-84(66-60-54-48-42-35-29-23-17-11-5)72-98(137)162-112-100(124-94(133)71-83(65-59-53-47-41-34-28-22-16-10-4)157-95(134)67-61-55-49-43-36-30-24-18-12-6)113(160-92(110(112)166-170(149,150)168-115-106(143)101(138)85(121)77-153-115)80-156-119(117(145)146)74-90(104(141)109(164-119)89(131)76-126)163-120(118(147)148)73-87(129)103(140)108(165-120)88(130)75-125)155-79-91-105(142)111(161-97(136)70-82(128)64-58-52-46-40-33-27-21-15-9-3)99(123-93(132)69-81(127)63-57-51-45-39-32-26-20-14-8-2)114(159-91)167-171(151,152)169-116-107(144)102(139)86(122)78-154-116/h81-92,99-116,125-131,138-144H,7-80,121-122H2,1-6H3,(H,123,132)(H,124,133)(H,145,146)(H,147,148)(H,149,150)(H,151,152)

InChIKey

RYVJLJVPSMBXLB-UHFFFAOYSA-N

Compound name

2-[2-[[3-[(5-amino-3,4-dihydroxyoxan-2-yl)oxy-hydroxyphosphoryl]oxy-6-[[6-[(5-amino-3,4-dihydroxyoxan-2-yl)oxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)oxan-2-yl]methoxy]-5-(3-dodecanoyloxytetradecanoylamino)-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-2-carboxy-6-(1,2-dihydroxyethyl)-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 656478
• CID 25202130