Marvin 03071110532D 45 47 0 0 1 0 999 V2000 11.2690 -3.1232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9833 -3.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9833 -4.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2690 -4.7732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5545 -4.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5545 -3.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8401 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8401 -3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 -3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -2.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 -5.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5546 -6.0106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5546 -6.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8401 -5.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8401 -7.2480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1256 -6.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1256 -6.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2690 -7.2480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 -8.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 -7.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 -5.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 -6.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -4.3607 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.1267 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -5.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8411 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5556 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2700 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9844 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6988 -4.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4133 -4.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1278 -4.3607 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 -7.6605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6966 -8.4855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9821 -7.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -8.8980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2677 -7.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2677 -8.4855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4111 -8.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -9.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -8.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -7.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -7.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 6 8 1 6 0 0 0 2 9 1 1 0 0 0 3 10 1 1 0 0 0 1 11 1 1 0 0 0 4 12 1 6 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 12 1 6 0 0 0 14 19 1 6 0 0 0 16 20 1 1 0 0 0 18 21 1 6 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 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 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 40 1 0 0 0 0 35 21 1 6 0 0 0 36 41 1 1 0 0 0 38 42 1 1 0 0 0 40 43 1 6 0 0 0 39 44 1 1 0 0 0 45 44 1 0 0 0 0 M END > CHEBI:61585 > (alpha-D-Man)-(1->4)-(alpha-D-GlcN)-(1->6)-1-O-(6-thiohexylphosphono)-D-myo-inositol > A myo-inositol monophosphate derivative consisting of 1-O-(6-thiohexylphosphono)-D-myo-inositol having an α-D-mannosyl-(1→4)-α-D-glucosaminyl residue at the 6-position. > 3 > (alpha-D-mannosyl)-(1->4)-(alpha-D-glucosaminyl)-(1->6)-1-O-(6-thiohexylphosphono)-D-myo-inositol; (alpha-D-mannopyranosyl)-(1->4)-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-(1->6)-1-O-(6-thiohexylphosphono)-D-myo-inositol > (1R,2R,3S,4R,5R,6R)-2-{[2-amino-2-deoxy-4-O-(alpha-D-mannopyranosyl)-alpha-D-glucopyranosyl]oxy}-3,4,5,6-tetrahydroxycyclohexyl 6-sulfanylhexyl hydrogen phosphate > C24H46NO18PS > 699.65700 > 699.21732 > 0 > N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCCCCCCS > InChI=1S/C24H46NO18PS/c25-11-13(29)20(41-24-19(35)14(30)12(28)9(7-26)39-24)10(8-27)40-23(11)42-21-17(33)15(31)16(32)18(34)22(21)43-44(36,37)38-5-3-1-2-4-6-45/h9-24,26-35,45H,1-8,25H2,(H,36,37)/t9-,10-,11-,12-,13-,14+,15-,16-,17+,18-,19+,20-,21-,22-,23-,24-/m1/s1 > VBGOAXKDRMTXBZ-WQUMXLTESA-N > 10232884 > 15729674; 20471845 $$$$