4-[2-carboxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-hexadec-9-enoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)tetrahydropyran-2-yl]methoxy]-5-hydroxy-tetrahydropyran-2-carboxylic acid

More details:

• Systematic name

  4-[2-carboxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-hexadec-9-enoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)tetrahydropyran-2-yl]methoxy]-5-hydroxy-tetrahydropyran-2-carboxylic acid

• SMILES

  CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)O)OC3(CC(C(C(O3)C(CO)O)O)O)C(=O)O)C(=O)O)OCC4C(C(C(C(O4)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC

• Std. InChi

  InChI=1S/C114H208N2O39P2/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-71-95(126)145-85(69-63-57-51-45-35-29-23-17-11-5)75-94(125)116-100-108(150-98(129)76-86(70-64-58-52-46-36-30-24-18-12-6)146-96(127)72-66-60-53-47-41-38-32-26-20-14-8-2)106(154-156(137,138)139)92(82-144-113(111(133)134)78-90(102(131)105(152-113)89(123)80-118)151-114(112(135)136)77-87(121)101(130)104(153-114)88(122)79-117)148-109(100)143-81-91-103(132)107(149-97(128)74-84(120)68-62-56-50-44-34-28-22-16-10-4)99(110(147-91)155-157(140,141)142)115-93(124)73-83(119)67-61-55-49-43-33-27-21-15-9-3/h37,39,83-92,99-110,117-123,130-132H,7-36,38,40-82H2,1-6H3,(H,115,124)(H,116,125)(H,133,134)(H,135,136)(H2,137,138,139)(H2,140,141,142)

• Std. InChIKey

  YMYMIWUIGJUAIZ-UHFFFAOYSA-N

• Cite this record

  CSID:570861, http://www.chemspider.com/Chemical-Structure.570861.html (accessed 12:10, Apr 18, 2024)