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CHEBI:156876 - CID 146015419

Default Structure
ChEBI IDCHEBI:156876
ChEBI NameCID 146015419
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC128H210N10O98S2
Net Charge0
Average Mass3521.194
Monoisotopic Mass3519.11977
SMILESCC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,17,16/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-1-2-3-1-4-1-4-3-1-5-6-7-1-5-6-7/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-n1_j4-k1_k3-l2_k4-m1_n4-o1_o3-p2_o4-q1
InChIInChI=1S/C128H210N10O98S2/c1-30(154)129-59-40(164)11-127(125(192)193,231-101(59)69(168)42(166)13-139)233-106-90(189)121(214-55(26-152)99(106)226-112-62(132-33(4)157)77(176)71(170)44(15-141)205-112)224-93-49(20-146)209-111(64(80(93)179)134-35(6)159)202-28-57-73(172)85(184)108(229-116-67(137-38(9)162)83(182)97(53(24-150)212-116)225-122-91(190)107(100(56(27-153)215-122)227-113-63(133-34(5)158)78(177)72(171)45(16-142)206-113)234-128(126(194)195)12-41(165)60(130-31(2)155)102(232-128)70(169)43(167)14-140)123(218-57)203-29-58-76(175)103(87(186)118(217-58)221-94-50(21-147)210-114(65(81(94)180)135-36(7)160)219-92-48(19-145)204-110(191)61(79(92)178)131-32(3)156)228-124-109(230-117-68(138-39(10)163)84(183)96(52(23-149)213-117)223-120-89(188)105(236-238(199,200)201)75(174)47(18-144)208-120)86(185)98(54(25-151)216-124)220-115-66(136-37(8)161)82(181)95(51(22-148)211-115)222-119-88(187)104(235-237(196,197)198)74(173)46(17-143)207-119/h40-124,139-153,164-191H,11-29H2,1-10H3,(H,129,154)(H,130,155)(H,131,156)(H,132,157)(H,133,158)(H,134,159)(H,135,160)(H,136,161)(H,137,162)(H,138,163)(H,192,193)(H,194,195)(H,196,197,198)(H,199,200,201)/t40-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68-,69+,70+,71-,72-,73+,74-,75-,76+,77+,78+,79+,80+,81+,82+,83+,84+,85-,86-,87-,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,101+,102+,103-,104-,105-,106+,107+,108-,109-,110+,111+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,127-,128-/m0/s1
InChIKeyJNKRWBZVFFJFDJ-SIXQTLNZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146015419 (CHEBI:156876) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal3S(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G94876HVGlyTouCan
G94876HVGlyGen