Marvin 05171115522D 72 73 0 0 1 0 999 V2000 8.1985 -49.8678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1985 -50.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4840 -49.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4840 -51.1053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7696 -49.8678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7696 -50.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9130 -49.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 -51.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4840 -51.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0551 -51.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0551 -49.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3406 -49.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 -51.9303 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7380 -51.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 -51.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 -52.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 -48.6303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6276 -48.2178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1986 -48.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6276 -47.3928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1986 -47.3927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9131 -46.9803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3420 -48.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 -46.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9131 -46.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4842 -46.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4842 -46.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0565 -48.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7710 -48.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4854 -48.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1999 -48.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9143 -48.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6288 -48.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3433 -48.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0578 -48.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0577 -49.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3432 -49.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6288 -49.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9143 -49.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1998 -49.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4854 -49.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7709 -49.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0564 -49.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0565 -47.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 -46.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0566 -45.7428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7710 -46.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6276 -45.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4855 -45.7428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1999 -46.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9144 -45.7430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6289 -46.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3434 -45.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3434 -44.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6290 -44.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9145 -44.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2001 -44.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4855 -44.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7711 -44.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0566 -44.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3422 -44.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0566 -44.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4855 -44.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0578 -46.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7723 -45.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0579 -44.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7724 -44.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9145 -44.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4868 -46.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4868 -44.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2013 -44.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2012 -45.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 6 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 14 13 2 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 8 13 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 17 7 1 1 0 0 0 18 23 1 1 0 0 0 20 24 1 6 0 0 0 22 25 1 1 0 0 0 21 26 1 6 0 0 0 27 26 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 28 44 2 0 0 0 0 24 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 45 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 46 62 1 1 0 0 0 49 63 1 1 0 0 0 53 64 1 0 0 0 0 64 65 1 0 0 0 0 54 66 1 0 0 0 0 66 67 1 0 0 0 0 51 68 1 1 0 0 0 65 69 1 0 0 0 0 67 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 69 72 1 0 0 0 0 M END > CHEBI:62123 > 2-O-palmitoyl-2'-O-sulfo-3-O-[(2S,4S,6S)-2,4,6-trimethyltetracosanoyl]-alpha,alpha-trehalose > A sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2S,4S,6S)-2,4,6-trimethyltetracosanoic acid. > 3 > 2-O-palmitoyl-3-O-[(2S,4S,6S)-2,4,6-trimethyltetracosanoyl]-alpha-D-glucopyranosyl 2-O-sulfo-alpha-D-glucopyranoside > C55H104O16S > 1053.47000 > 1052.70451 > 0 > CCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C55H104O16S/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-35-41(3)37-42(4)38-43(5)53(62)69-50-48(60)45(40-57)67-55(70-54-51(71-72(63,64)65)49(61)47(59)44(39-56)66-54)52(50)68-46(58)36-34-32-30-28-26-23-19-17-15-13-11-9-7-2/h41-45,47-52,54-57,59-61H,6-40H2,1-5H3,(H,63,64,65)/t41-,42-,43-,44+,45+,47+,48+,49-,50-,51+,52+,54+,55+/m0/s1 > RNPVEWRXRUDCFI-VDTWQNPJSA-N > 19454700 $$$$