Marvin 07111217032D 90 96 0 0 1 0 999 V2000 16.2118 -3.1587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2118 -3.9837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4973 -2.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4973 -4.3962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7828 -3.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7828 -3.9837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9263 -2.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9263 -4.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4973 -5.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0684 -4.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 -14.7088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9222 -15.5338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2077 -14.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -15.9463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4932 -14.7088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4932 -15.5338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6367 -14.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 -15.9463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -16.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 -15.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 -14.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9357 -14.7088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 -16.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 -17.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 -17.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7801 -13.0588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7801 -13.8838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0656 -12.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0656 -14.2963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3511 -13.0588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3511 -13.8838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4946 -12.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 -14.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0655 -15.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 -12.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 -13.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 -11.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 -11.4087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6379 -12.2337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9235 -10.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9235 -12.6462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2090 -11.4087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2090 -12.2337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3524 -10.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3524 -12.6463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9234 -13.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 -10.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -11.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3524 -13.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0669 -13.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 -13.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4959 -9.7587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4959 -10.5837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7813 -9.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7813 -10.9962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0669 -9.7587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0669 -10.5837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2103 -9.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2103 -10.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7813 -11.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3524 -9.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 -9.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3524 -8.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -7.2837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9248 -8.1087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2104 -6.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2104 -8.5212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4959 -7.2837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4959 -8.1087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6393 -6.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6393 -8.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7815 -8.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7815 -6.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0669 -7.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3539 -4.8087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3539 -5.6337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6394 -4.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6394 -6.0462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9249 -4.8087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9249 -5.6337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0684 -6.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2104 -6.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2104 -4.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4960 -4.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0697 -3.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3553 -2.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0697 -3.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3553 -1.9212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6408 -3.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7842 -2.7462 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 1 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 11 17 1 6 0 0 0 12 18 1 6 0 0 0 14 19 1 1 0 0 0 16 20 1 6 0 0 0 15 21 1 1 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 18 23 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 31 1 0 0 0 0 26 32 1 1 0 0 0 27 33 1 6 0 0 0 29 34 1 1 0 0 0 31 17 1 6 0 0 0 30 35 1 1 0 0 0 36 35 1 0 0 0 0 35 37 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 38 44 1 6 0 0 0 39 45 1 6 0 0 0 41 46 1 1 0 0 0 43 32 1 6 0 0 0 42 47 1 1 0 0 0 48 47 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 45 49 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 57 1 0 0 0 0 52 58 1 1 0 0 0 53 59 1 6 0 0 0 55 60 1 1 0 0 0 57 44 1 6 0 0 0 56 61 1 1 0 0 0 62 61 1 0 0 0 0 61 63 2 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 67 69 1 0 0 0 0 68 69 1 0 0 0 0 64 70 1 1 0 0 0 65 71 1 6 0 0 0 67 58 1 1 0 0 0 69 72 1 1 0 0 0 68 73 1 1 0 0 0 74 73 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 76 78 1 0 0 0 0 77 79 1 0 0 0 0 78 80 1 0 0 0 0 79 80 1 0 0 0 0 75 10 1 1 0 0 0 76 81 1 6 0 0 0 78 70 1 1 0 0 0 80 82 1 1 0 0 0 79 83 1 1 0 0 0 84 83 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 86 88 1 6 0 0 0 86 89 1 0 0 0 0 89 7 1 0 0 0 0 90 85 1 0 0 0 0 M END > CHEBI:65140 > alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl-(1->3)-L-Ser > An O-glycosyl-L-serine having the linear heptasaccharide α-D-GlcNAc-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl as the glycosyl component. An intermediate glycan in the synthesis of heparan > 3 > N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl-(1->3)-L-serine; alpha-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->4)-alpha-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Xylp-(1->3)-L-Ser; 3-O-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-beta-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-xylopyranosyl]-L-serine; (Gal)2 (GlcA)2 (GlcNAc)2 (Xyl)1 (Ser)1 > (2S)-3-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-beta-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-xylopyranosyl]oxy}-2-aminopropanoic acid > C48H77N3O39 > 1320.12170 > 1319.41342 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5CO[C@@H](OC[C@H](N)C(O)=O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)O[C@@H]2C(O)=O)O[C@@H]1C(O)=O > InChI=1S/C48H77N3O39/c1-9(56)50-17-23(62)19(58)12(3-52)79-42(17)87-35-25(64)28(67)45(89-37(35)40(73)74)84-32-15(6-55)82-43(18(24(32)63)51-10(2)57)88-36-26(65)29(68)46(90-38(36)41(75)76)85-34-22(61)14(5-54)81-48(31(34)70)86-33-21(60)13(4-53)80-47(30(33)69)83-16-8-78-44(27(66)20(16)59)77-7-11(49)39(71)72/h11-38,42-48,52-55,58-70H,3-8,49H2,1-2H3,(H,50,56)(H,51,57)(H,71,72)(H,73,74)(H,75,76)/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-,42+,43+,44+,45+,46+,47-,48-/m0/s1 > ASSJVPACSYYHOZ-PVQABIFQSA-N > G00164 $$$$