EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150698 - CID 91858605

ChEBI IDCHEBI:150698
ChEBI NameCID 91858605
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC123H201N9O91
Net Charge0
Average Mass3261.933
Monoisotopic Mass3260.13773
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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[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@]6(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[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](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/6,16,15/[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][Aad21122h-2a_2-6_5*NCCO/3=O]/1-1-2-3-1-4-5-1-4-5-3-1-4-6-1-4/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1
InChIInChI=1S/C123H201N9O91/c1-29(145)124-57-37(153)9-121(118(187)188,221-99(57)66(160)40(156)12-133)195-26-53-70(164)82(176)87(181)112(207-53)214-94-46(18-139)202-108(63(77(94)171)129-34(6)150)212-98-50(22-143)205-117(104(90(98)184)220-110-65(131-36(8)152)80(174)96(48(20-141)204-110)216-114-89(183)83(177)71(165)54(208-114)27-196-122(119(189)190)10-38(154)58(125-30(2)146)100(222-122)67(161)41(157)13-134)218-102-74(168)52(206-115(91(102)185)217-97-49(21-142)201-107(62(78(97)172)128-33(5)149)211-92-44(16-137)198-105(186)60(75(92)169)126-31(3)147)25-194-116-103(85(179)73(167)51(210-116)24-193-106-61(127-32(4)148)76(170)93(45(17-138)200-106)213-111-86(180)81(175)69(163)43(15-136)199-111)219-109-64(130-35(7)151)79(173)95(47(19-140)203-109)215-113-88(182)84(178)72(166)55(209-113)28-197-123(120(191)192)11-39(155)59(132-56(159)23-144)101(223-123)68(162)42(158)14-135/h37-55,57-117,133-144,153-158,160-186H,9-28H2,1-8H3,(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,128,149)(H,129,150)(H,130,151)(H,131,152)(H,132,159)(H,187,188)(H,189,190)(H,191,192)/t37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,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+,121+,122+,123+/m0/s1
InChIKeyAOLFJMSPXXYTGX-QOOPNAABSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858605 (CHEBI:150698) 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->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->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-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)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G42322YVGlyTouCan