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CHEBI:146589 - CID 91857506

ChEBI IDCHEBI:146589
ChEBI NameCID 91857506
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC125H207N7O90
Net Charge0
Average Mass3247.990
Monoisotopic Mass3246.18362
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H]6NC(C)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,18,17/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-7-5-2-7-5-4-2-7-5-7/a4-b1_a6-r1_b4-c1_c3-d1_c6-n1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h4-j1_j6-k1_k3-l1_k4-m1_n2-o1_o3-p1_o4-q1
InChIInChI=1S/C125H207N7O90/c1-27-60(152)74(166)83(175)113(192-27)189-25-52-96(71(163)54(107(185)196-52)127-32(6)144)210-109-55(128-33(7)145)72(164)94(44(18-138)201-109)212-121-92(184)104(70(162)50(207-121)24-190-122-105(82(174)67(159)42(16-136)199-122)220-112-59(132-37(11)149)103(218-116-86(178)77(169)63(155)30(4)195-116)98(48(22-142)204-112)214-118-88(180)79(171)66(158)41(15-135)198-118)219-123-106(221-110-56(129-34(8)146)73(165)93(43(17-137)202-110)211-119-89(181)81(173)69(161)51(208-119)26-191-125(124(186)187)12-38(150)53(126-31(5)143)100(222-125)64(156)39(151)13-133)91(183)95(45(19-139)205-123)209-111-58(131-36(10)148)102(217-115-85(177)76(168)62(154)29(3)194-115)99(47(21-141)203-111)215-120-90(182)80(172)68(160)49(206-120)23-188-108-57(130-35(9)147)101(216-114-84(176)75(167)61(153)28(2)193-114)97(46(20-140)200-108)213-117-87(179)78(170)65(157)40(14-134)197-117/h27-30,38-123,133-142,150-185H,12-26H2,1-11H3,(H,126,143)(H,127,144)(H,128,145)(H,129,146)(H,130,147)(H,131,148)(H,132,149)(H,186,187)/t27-,28-,29-,30-,38-,39+,40+,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+,125+/m0/s1
InChIKeyDKAFZARTTZRSEO-VXKCGXOBSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91857506 (CHEBI:146589) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-4)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G03605AVGlyGen
G03605AVGlyTouCan