Marvin 09071111052D 109118 0 0 1 0 999 V2000 13.7871 -7.6027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7871 -8.4277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0725 -7.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0725 -8.8402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3580 -7.6027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3580 -8.4277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5015 -7.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5015 -8.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0725 -9.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -8.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -7.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5027 -4.3027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5027 -5.1277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7881 -3.8902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7881 -5.5402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0737 -4.3027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0737 -5.1277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4604 -3.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8118 -3.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0926 -3.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3593 -5.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6449 -5.9527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6449 -6.7777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9304 -5.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9304 -7.1902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2159 -5.9527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2159 -6.7777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3593 -7.1902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9303 -8.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5015 -5.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7870 -5.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -6.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 -7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 -5.9523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2146 -6.3644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9296 -5.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 -5.9515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2152 -4.7144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5007 -5.1267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7856 -6.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7864 -4.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2157 -3.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5015 -3.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4995 -7.6019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7851 -7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0707 -7.6019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0707 -8.4269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7851 -8.8394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4995 -8.4269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3561 -8.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 -8.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7851 -9.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3561 -7.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -7.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9273 -7.1893 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -6.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2129 -7.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4985 -7.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -7.6014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -8.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3580 -10.0777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3580 -10.9027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6435 -9.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -11.3152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9291 -10.0777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9291 -10.9027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0725 -11.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -12.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2146 -11.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2146 -9.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5001 -10.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7856 -10.4902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7856 -11.3152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0711 -10.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0711 -11.7277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3567 -10.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3567 -11.3152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5001 -12.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0711 -12.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 -11.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 -10.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -10.4902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0725 -12.1402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7869 -12.5527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3580 -12.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7869 -13.3777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3580 -13.3777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0725 -13.7902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5015 -12.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5014 -13.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0724 -14.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -13.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -14.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 -13.4373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7996 -14.2623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0851 -13.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 -14.6748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3706 -13.4373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3706 -14.2623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5140 -14.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 -15.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 -14.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 -13.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -13.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9596 -6.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7801 -6.4334 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.1157 -5.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7801 -7.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4946 -6.8459 0.0000 O 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 1 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 16 18 1 1 0 0 0 14 19 1 6 0 0 0 12 20 1 1 0 0 0 17 21 1 6 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 27 1 0 0 0 0 23 28 1 6 0 0 0 25 29 1 1 0 0 0 27 7 1 6 0 0 0 26 30 1 1 0 0 0 31 30 1 0 0 0 0 22 21 1 6 0 0 0 11 32 1 0 0 0 0 34 35 1 0 0 0 0 34 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 39 1 0 0 0 0 34 32 1 6 0 0 0 35 33 1 1 0 0 0 37 40 1 1 0 0 0 39 41 1 6 0 0 0 38 42 1 1 0 0 0 43 42 1 0 0 0 0 44 33 1 6 0 0 0 49 44 1 0 0 0 0 45 44 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 50 1 6 0 0 0 49 51 1 1 0 0 0 48 52 1 1 0 0 0 46 53 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 55 60 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 66 1 0 0 0 0 61 9 1 6 0 0 0 62 67 1 6 0 0 0 64 68 1 1 0 0 0 66 69 1 1 0 0 0 65 70 1 1 0 0 0 71 70 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 73 75 1 0 0 0 0 74 76 1 0 0 0 0 75 77 1 0 0 0 0 76 77 1 0 0 0 0 72 71 1 6 0 0 0 73 78 1 6 0 0 0 75 79 1 1 0 0 0 77 80 1 1 0 0 0 76 81 1 1 0 0 0 82 81 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 84 86 1 0 0 0 0 85 87 1 0 0 0 0 86 88 1 0 0 0 0 87 88 1 0 0 0 0 83 67 1 6 0 0 0 84 89 1 6 0 0 0 86 90 1 1 0 0 0 88 91 1 1 0 0 0 87 92 1 1 0 0 0 93 92 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 95 97 1 0 0 0 0 96 98 1 0 0 0 0 97 99 1 0 0 0 0 98 99 1 0 0 0 0 94 78 1 6 0 0 0 95100 1 6 0 0 0 97101 1 1 0 0 0 99102 1 1 0 0 0 98103 1 1 0 0 0 104103 1 0 0 0 0 13107 1 1 0 0 0 13 15 1 0 0 0 0 15105 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106108 2 0 0 0 0 106109 1 0 0 0 0 M END > CHEBI:62865 > ethanolamine-P-6-alpha-Man-(1->2)-alpha-Man-(1->6)-[alpha-Gal-(1->2)-alpha-Gal-(1->6)-[alpha-Gal-(1->2)]-alpha-Gal-(1->3)]-alpha-Man-(1->4)-alpha-GlcN-(1->6)-inositol-1,2-cyclic phosphate > A myo-inositol cyclic phosphate that consists of 1D-myo-inositol 1,2-cyclic phosphate having an octasaccharide moiety made up from four α-galactosyl residues, three α-mannosyl residues and one α-glucosaminyl residue, which at the reducing end is attached at position 6 via a glycosidic linkage. > 3 > ethanolamine-P-6-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-[alpha-D-Galp-(1->2)-alpha-D-Galp-(1->6)-[alpha-D-Galp-(1->2)]-alpha-D-Galp-(1->3)]-alpha-D-Manp-(1->4)-alpha-D-GlcpN-(1->6)-inositol-1,2-cyclic phosphate; ethanolamine-P-6-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)-[alpha-D-galactosyl-(1->2)-alpha-D-galactosyl-(1->6)-[alpha-D-galactosyl-(1->2)]-alpha-D-galactosyl-(1->3)]-alpha-D-mannosyl-(1->4)-alpha-D-glucosaminyl-(1->6)-inositol-1,2-cyclic phosphate; ethanolamine-P-6-alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-[alpha-D-Gal-(1->2)-alpha-D-Gal-(1->6)-[alpha-D-Gal-(1->2)]-alpha-D-Gal-(1->3)]-alpha-D-Man-(1->4)-alpha-D-GlcN-(1->6)-inositol-1,2-cyclic phosphate; (3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 6-OO-[(2-aminoethyl)(hydroxy)phosphoryl]-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-[alpha-D-galactopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->2)-alpha-D-galactopyranosyl-(1->6)]-alpha-D-galactopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-alpha-D-glucopyranoside > 6-O-{[(2-aminoethyl)(hydroxy)phosphoryl]-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-[alpha-D-galactopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->2)-alpha-D-galactopyranosyl-(1->6)]-alpha-D-galactopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-alpha-D-glucopyranosyl}-1D-myo-inositol 1,2-(hydrogen phosphate) > C56H98N2O49P2 > 1645.30880 > 1644.47134 > 0 > NCCP(O)(=O)OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](N)[C@H](O[C@@H]3CO)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H]4OP(O)(=O)O[C@@H]34)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C56H98N2O49P2/c57-1-2-108(85,86)91-10-18-24(68)30(74)39(83)52(98-18)104-46-33(77)23(67)14(6-62)95-55(46)90-9-17-26(70)42(40(84)53(97-17)100-41-15(7-63)96-49(19(58)27(41)71)102-43-35(79)31(75)36(80)44-48(43)107-109(87,88)106-44)101-56-47(105-51-38(82)29(73)21(65)12(4-60)93-51)34(78)25(69)16(99-56)8-89-54-45(32(76)22(66)13(5-61)94-54)103-50-37(81)28(72)20(64)11(3-59)92-50/h11-56,59-84H,1-10,57-58H2,(H,85,86)(H,87,88)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41-,42+,43-,44-,45-,46+,47-,48+,49-,50-,51-,52-,53-,54+,55+,56-/m1/s1 > BPTMQGRGUYPUOW-KKYMLJAISA-N > 2458923 $$$$