LIPID A, DIPHOSPHORYL ,95991-05-2 _ChemCD

LIPID A, DIPHOSPHORYL

basic_info
Product_Name：	LIPID A, DIPHOSPHORYL
CAS：	95991-05-2
EnglishSynonyms：	COMPOUND 506, LA-15-PP ; LA-15-PP ; LIPID A (E COLI) ; 2-DEOXY-6-O[2-DEOXY-2[(R)-3(DODECANOYLOXY) TETRADECANOYLAMINO]-3-O[(R)-3-(TETRADECANOYLOXY) TETRADECANOYL]-BETA-D GLUCOPYRANOSYL]-3-O-[(R)-3-HYDROXYTETRADECANOYL]-2-[(R)-3-HYDROXYTETRADECANOYLAMINO]-ALPHA-D-GLUCOPYRANOSE 1,4'-DIPHOSPHATE ; LIPID A, DIPHOSPHORYL ; COMPOUND 506
pro_mdlNumber：	MFCD07369021
pro_acceptors：	27
pro_donors：	10
pro_smile：	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChi：	InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1
InChiKey：	InChIKey=GZQKNULLWNGMCW-PWQABINMSA-N

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