KDO2-PALMITOLEOYL-LIPID-IVA
Molecular Formula:
C100H182N2O38P2
InChI: InChI=1/C100H182N2O38P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-82(113)131-73(58-53-48-43-38-30-25-20-15-10-5)63-81(112)102-86-94(135-84(115)62-72(107)57-52-47-42-37-29-24-19-14-9-4)92(139-141(123,124)125)79(69-130-99(97(119)120)65-77(88(117)91(137-99)76(110)67-104)136-100(98(121)122)64-74(108)87(116)90(138-100)75(109)66-103)133-95(86)129-68-78-89(118)93(134-83(114)61-71(106)56-51-46-41-36-28-23-18-13-8-3)85(96(132-78)140-142(126,127)128)101-80(111)60-70(105)55-50-45-40-35-27-22-17-12-7-2/h31-32,70-79,85-96,103-110,116-118H,6-30,33-69H2,1-5H3,(H,101,111)(H,102,112)(H,119,120)(H,121,122)(H2,123,124,125)(H2,126,127,128)/f/h101-102,119,121,123-124,126-127H
InChIKey: InChIKey=GUGOELZTMNFFOJ-KRVFLDQPCS
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)OC(=O)CCCCCCCC=CCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O
Names:
KDO2-PALMITOLEOYL-LIPID-IVA
KDO2-(palmitoleoyl)-lipid IVA
4-[2-carboxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxy-oxan-2-yl]oxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-hexadec-9-enoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxy-oxan-2-yl]methoxy]-4-(3-hydroxytetradecanoyloxy)-3-phosphonooxy-oxan-2-yl]methoxy]-5-hydroxy-oxane-2-carboxylic acid
Registries:
PubChem CID 656475
PubChem ID 2848
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