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CHEBI:149381 - CID 91860396

ChEBI IDCHEBI:149381
ChEBI NameCID 91860396
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H190N8O92S3
Net Charge0
Average Mass3252.950
Monoisotopic Mass3250.95971
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]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](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](OS(=O)(=O)O)[C@H]4O)[C@H](O)[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](O)[C@H](OS(=O)(=O)O)[C@H]5O)[C@H](O)[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@H](O)[C@H](OS(=O)(=O)O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/9,16,15/[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_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][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-4-2-5-2-6-7-8-9/a4-b1_a6-p1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1_m3-n2_m4-o1
InChIInChI=1S/C115H190N8O92S3/c1-26-59(146)74(161)76(163)106(185-26)183-25-50-89(68(155)52(99(170)186-50)117-28(3)137)201-103-56(121-32(7)141)71(158)84(42(17-130)193-103)202-107-78(165)92(208-113-98(210-105-58(123-34(9)143)73(160)87(45(20-133)195-105)205-110-81(168)95(215-218(179,180)181)65(152)40(15-128)190-110)77(164)88(46(21-134)197-113)200-102-55(120-31(6)140)70(157)85(43(18-131)192-102)203-108-79(166)93(213-216(173,174)175)63(150)38(13-126)188-108)66(153)49(198-107)24-184-112-97(209-104-57(122-33(8)142)72(159)86(44(19-132)194-104)204-109-80(167)94(214-217(176,177)178)64(151)39(14-127)189-109)75(162)62(149)48(199-112)23-182-100-54(119-30(5)139)69(156)83(41(16-129)191-100)206-111-82(169)96(90(47(22-135)196-111)207-101-53(118-29(4)138)67(154)61(148)37(12-125)187-101)212-115(114(171)172)10-35(144)51(116-27(2)136)91(211-115)60(147)36(145)11-124/h26,35-113,124-135,144-170H,10-25H2,1-9H3,(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,171,172)(H,173,174,175)(H,176,177,178)(H,179,180,181)/t26-,35-,36+,37+,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+,115-/m0/s1
InChIKeyFFZQLYLFGFIXHV-SXIAXNNFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860396 (CHEBI:149381) is a polysaccharide (CHEBI:18154)
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->6)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)[Gal3S(b1-4)GlcNAc(b1-2)]Man(a1-6)[Gal3S(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G33788DDGlyGen
G33788DDGlyTouCan