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CHEBI:150530 - CID 91861956

ChEBI IDCHEBI:150530
ChEBI NameCID 91861956
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC125H207N7O90
Net Charge0
Average Mass3247.990
Monoisotopic Mass3246.18362
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[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]5O[C@H](CO)[C@H](O)[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]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]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](O[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]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/6,18,17/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-5-1-5-6-3-1-4-5-1-4-5-4/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_e3-f1_e4-g1_g3-h1_h4-i1_i6-j2_k2-l1_l3-m1_l4-n1_n3-o1_o3-p1_o4-q1
InChIInChI=1S/C125H207N7O90/c1-27-60(153)75(168)83(176)113(191-27)188-25-52-94(72(165)54(107(185)195-52)127-32(6)145)208-108-55(128-33(7)146)73(166)93(46(20-140)201-108)210-121-91(184)104(71(164)50(206-121)24-189-122-105(81(174)66(159)41(15-135)199-122)220-111-58(131-36(10)149)100(215-115-85(178)77(170)62(155)29(3)193-115)96(48(22-142)204-111)213-120-90(183)103(70(163)44(18-138)198-120)218-110-57(130-35(9)148)99(214-114-84(177)76(169)61(154)28(2)192-114)95(47(21-141)203-110)211-117-87(180)79(172)65(158)40(14-134)196-117)219-123-106(82(175)67(160)42(16-136)200-123)221-112-59(132-37(11)150)101(216-116-86(179)78(171)63(156)30(4)194-116)97(49(23-143)205-112)212-119-89(182)102(69(162)43(17-137)197-119)217-109-56(129-34(8)147)74(167)92(45(19-139)202-109)209-118-88(181)80(173)68(161)51(207-118)26-190-125(124(186)187)12-38(151)53(126-31(5)144)98(222-125)64(157)39(152)13-133/h27-30,38-123,133-143,151-185H,12-26H2,1-11H3,(H,126,144)(H,127,145)(H,128,146)(H,129,147)(H,130,148)(H,131,149)(H,132,150)(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
InChIKeyJHARGPFNXRLXNT-GFEFXILKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91861956 (CHEBI:150530) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G36316RBGlyTouCan
G36316RBGlyGen