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CHEBI:148568 - CID 91859235

ChEBI IDCHEBI:148568
ChEBI NameCID 91859235
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC118H196N8O86
Net Charge0
Average Mass3102.836
Monoisotopic Mass3101.12096
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]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=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@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]6NC(C)=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](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]6NC(C)=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=2.0/4,17,16/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-4-1-4-3-1-4-1-4-1-4-1-4/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f3-g1_g4-h1_i2-j1_i6-n1_j4-k1_k3-l1_l4-m1_n4-o1_o3-p1_p4-q1
InChIInChI=1S/C118H196N8O86/c1-26(142)119-51-68(159)88(41(16-134)182-102(51)179)199-104-53(121-28(3)144)70(161)95(46(21-139)191-104)206-116-87(178)99(210-118-101(79(170)62(153)37(12-130)189-118)212-109-58(126-33(8)149)75(166)94(48(23-141)196-109)205-115-86(177)98(66(157)40(15-133)188-115)209-107-56(124-31(6)147)73(164)92(45(20-138)194-107)202-112-83(174)78(169)61(152)36(11-129)185-112)67(158)50(197-116)25-181-117-100(211-108-57(125-32(7)148)74(165)93(47(22-140)195-108)204-114-85(176)97(65(156)39(14-132)187-114)208-106-55(123-30(5)146)72(163)91(44(19-137)193-106)201-111-82(173)77(168)60(151)35(10-128)184-111)80(171)63(154)49(198-117)24-180-103-52(120-27(2)143)69(160)89(42(17-135)190-103)203-113-84(175)96(64(155)38(13-131)186-113)207-105-54(122-29(4)145)71(162)90(43(18-136)192-105)200-110-81(172)76(167)59(150)34(9-127)183-110/h34-118,127-141,150-179H,9-25H2,1-8H3,(H,119,142)(H,120,143)(H,121,144)(H,122,145)(H,123,146)(H,124,147)(H,125,148)(H,126,149)/t34-,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+,114+,115+,116+,117+,118-/m1/s1
InChIKeyFPGFXNNQANMIFZ-GAVTZJOVSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91859235 (CHEBI:148568) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-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)-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->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-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G23166NUGlyTouCan
G23166NUGlyGen