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CHEBI:146849 - CID 71298049

ChEBI IDCHEBI:146849
ChEBI NameCID 71298049
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC116H193N7O85
Net Charge0
Average Mass3045.784
Monoisotopic Mass3044.09949
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](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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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](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]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]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9NC(C)=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]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][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-2-5-2-5-4-2-5-5-6/a4-b1_a6-q1_b4-c1_c3-d1_c6-m1_d2-e1_e4-f1_f3-g1_g4-h1_h3-i1_i4-j1_j3-k1_k4-l1_m2-n1_n4-o1_o3-p1
InChIInChI=1S/C116H193N7O85/c1-25-56(145)73(162)78(167)107(178-25)176-24-48-92(66(155)49(100(175)179-48)117-26(2)138)195-101-50(118-27(3)139)67(156)91(42(18-133)188-101)201-114-85(174)97(65(154)47(194-114)23-177-115-98(76(165)59(148)35(11-126)186-115)207-105-54(122-31(7)143)71(160)89(45(21-136)192-105)200-113-84(173)96(64(153)40(16-131)185-113)205-109-80(169)75(164)58(147)34(10-125)181-109)206-116-99(77(166)60(149)36(12-127)187-116)208-106-55(123-32(8)144)72(161)90(46(22-137)193-106)199-112-83(172)95(63(152)39(15-130)184-112)204-104-53(121-30(6)142)70(159)88(44(20-135)191-104)198-111-82(171)94(62(151)38(14-129)183-111)203-103-52(120-29(5)141)69(158)87(43(19-134)190-103)197-110-81(170)93(61(150)37(13-128)182-110)202-102-51(119-28(4)140)68(157)86(41(17-132)189-102)196-108-79(168)74(163)57(146)33(9-124)180-108/h25,33-116,124-137,145-175H,9-24H2,1-8H3,(H,117,138)(H,118,139)(H,119,140)(H,120,141)(H,121,142)(H,122,143)(H,123,144)/t25-,33+,34+,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+/m0/s1
InChIKeyIZSZAZVIFVRXNO-GLSJONIBSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71298049 (CHEBI:146849) 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->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)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-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-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G05654CVGlyTouCan
G05654CVGlyGen