EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:148415 - CID 91852877

ChEBI IDCHEBI:148415
ChEBI NameCID 91852877
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC134H218N10O98
Net Charge0
Average Mass3537.190
Monoisotopic Mass3535.23823
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)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[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](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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[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]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[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](O)[C@H](O)[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](O[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]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,17,16/[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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d6-h1_e4-f1_f3-g2_h4-i1_i6-j2_k2-l1_k4-o1_l4-m1_m3-n2_o4-p1_p3-q2
InChIInChI=1S/C134H218N10O98/c1-32(159)135-63-42(169)11-131(127(202)203,236-104(63)73(177)46(173)15-145)212-31-62-77(181)89(193)91(195)120(224-62)228-98-54(23-153)217-115(68(84(98)188)140-37(6)164)210-29-60-78(182)90(194)112(234-118-71(143-40(9)167)87(191)101(57(26-156)220-118)231-123-95(199)110(80(184)51(20-150)215-123)241-133(129(206)207)13-44(171)65(137-34(3)161)106(238-133)75(179)48(175)17-147)126(225-60)233-108-82(186)61(223-121(93(108)197)229-99-55(24-154)218-116(69(85(99)189)141-38(7)165)226-97-53(22-152)213-114(201)67(83(97)187)139-36(5)163)30-211-125-113(235-119-72(144-41(10)168)88(192)102(58(27-157)221-119)232-124-96(200)111(81(185)52(21-151)216-124)242-134(130(208)209)14-45(172)66(138-35(4)162)107(239-134)76(180)49(176)18-148)92(196)103(59(28-158)222-125)227-117-70(142-39(8)166)86(190)100(56(25-155)219-117)230-122-94(198)109(79(183)50(19-149)214-122)240-132(128(204)205)12-43(170)64(136-33(2)160)105(237-132)74(178)47(174)16-146/h42-126,145-158,169-201H,11-31H2,1-10H3,(H,135,159)(H,136,160)(H,137,161)(H,138,162)(H,139,163)(H,140,164)(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,202,203)(H,204,205)(H,206,207)(H,208,209)/t42-,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-,125-,126+,131+,132-,133-,134-/m0/s1
InChIKeyAEZAWIUKNYMPKL-PCOOFCTFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852877 (CHEBI:148415) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-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)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G22237ZEGlyTouCan
G22237ZEGlyGen