EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146632 - CID 71297958

ChEBI IDCHEBI:146632
ChEBI NameCID 71297958
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC118H194N8O86
Net Charge0
Average Mass3100.820
Monoisotopic Mass3099.10531
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](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](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](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](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](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,16,15/[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][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-4-2-5-6-2-5-6-7/a4-b1_a6-p1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-m1_j4-k1_k3-l2_m4-n1_n3-o2
InChIInChI=1S/C118H194N8O86/c1-27-61(151)76(166)80(170)107(185-27)183-26-52-93(70(160)55(101(177)186-52)121-30(4)141)200-104-58(124-33(7)144)73(163)90(47(21-136)193-104)203-110-84(174)96(206-114-100(208-106-60(126-35(9)146)74(164)89(46(20-135)195-106)202-109-82(172)78(168)65(155)41(15-130)188-109)83(173)92(49(23-138)196-114)199-103-57(123-32(6)143)72(162)88(45(19-134)192-103)201-108-81(171)77(167)64(154)40(14-129)187-108)69(159)51(197-110)25-184-113-99(207-105-59(125-34(8)145)75(165)91(48(22-137)194-105)205-112-86(176)98(68(158)43(17-132)190-112)212-118(116(180)181)11-37(148)54(120-29(3)140)95(210-118)63(153)39(150)13-128)79(169)66(156)50(198-113)24-182-102-56(122-31(5)142)71(161)87(44(18-133)191-102)204-111-85(175)97(67(157)42(16-131)189-111)211-117(115(178)179)10-36(147)53(119-28(2)139)94(209-117)62(152)38(149)12-127/h27,36-114,127-138,147-177H,10-26H2,1-9H3,(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,178,179)(H,180,181)/t27-,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-,114+,117-,118-/m0/s1
InChIKeyJQMKQGFYQXPWPR-MHNSMJLXSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297958 (CHEBI:146632) 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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->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->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)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G02193CVGlyGen
G02193CVGlyTouCan