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CHEBI:148010 - CID 91852570

ChEBI IDCHEBI:148010
ChEBI NameCID 91852570
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]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](O)[C@H]6O)[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@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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]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]2O)[C@@H]1O
WURCSWURCS=2.0/7,17,16/[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][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-2-4-2-5-2-5-6-7/a4-b1_a6-q1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g1_h4-i1_k2-l1_k6-n1_l4-m1_n4-o1_o3-p1
InChIInChI=1S/C116H193N7O85/c1-25-56(144)72(160)78(166)107(179-25)177-23-47-93(66(154)49(100(175)180-47)117-26(2)137)197-104-53(121-30(6)141)69(157)91(43(19-134)190-104)202-114-86(174)97(206-116-99(83(171)92(45(21-136)193-116)196-103-52(120-29(5)140)68(156)88(41(17-132)189-103)198-108-79(167)73(161)58(146)34(10-125)182-108)208-106-55(123-32(8)143)71(159)90(44(20-135)192-106)201-113-85(173)96(64(152)39(15-130)187-113)205-111-82(170)76(164)61(149)37(13-128)185-111)94(203-102-50(118-27(3)138)65(153)57(145)33(9-124)181-102)48(195-114)24-178-115-98(207-105-54(122-31(7)142)70(158)89(42(18-133)191-105)199-109-80(168)74(162)59(147)35(11-126)183-109)77(165)62(150)46(194-115)22-176-101-51(119-28(4)139)67(155)87(40(16-131)188-101)200-112-84(172)95(63(151)38(14-129)186-112)204-110-81(169)75(163)60(148)36(12-127)184-110/h25,33-116,124-136,144-175H,9-24H2,1-8H3,(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)/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
InChIKeyFMAYCIMWRZITNR-VFWYXVLWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852570 (CHEBI:148010) is a polysaccharide (CHEBI:18154)
Synonyms  Source
alpha-D-galacto-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->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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(a1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G18875WGGlyTouCan
G18875WGGlyGen