KDO2-lipid IVA
Molecular Formula:
C84H154N2O37P2
InChI: InChI=1/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55-,56-,57-,58-,59?,60-,61-,62-,63u,64u,69-,70-,71-,72-,73-,74?,75?,76-,77?,78?,79+,80-,83-,84-/m1/s1/f/h85-86,103,105,107-108,110-111H
InChIKey: InChIKey=XAOLJGCZESYRFT-RURXDYCUDP
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)OC4(CC(C(C(O4)C(CO)O)O)O)C(=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:
KDO2-lipid IVA
LMSL02000003
(2R,4R,5S)-4-[(2S,5R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-oxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[(3R,5S,6S)-6-[[(3R,5S,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-3-phosphonooxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid
Registries:
PubChem CID 9547201
PubChem ID 14714477
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