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CHEBI:147990 - CID 91861716

ChEBI IDCHEBI:147990
ChEBI NameCID 91861716
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H183N7O80
Net Charge0
Average Mass2883.643
Monoisotopic Mass2882.04667
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]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=2.0/7,16,15/[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][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-2-4-2-5-2-5-7/a4-b1_a6-p1_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
InChIInChI=1S/C110H183N7O80/c1-24-54(137)69(152)75(158)102(170-24)168-22-45-89(63(146)47(95(166)171-45)111-25(2)130)187-99-51(115-29(6)134)66(149)87(41(18-127)180-99)192-108-82(165)92(195-110-94(80(163)88(43(20-129)183-110)186-98-50(114-28(5)133)65(148)84(39(16-125)179-98)189-104-77(160)71(154)57(140)34(11-120)174-104)197-101-53(117-31(8)136)68(151)86(42(19-128)182-101)191-107-81(164)91(61(144)37(14-123)177-107)194-106-79(162)73(156)59(142)36(13-122)176-106)90(193-97-48(112-26(3)131)62(145)55(138)32(9-118)172-97)46(185-108)23-169-109-93(196-100-52(116-30(7)135)67(150)85(40(17-126)181-100)190-105-78(161)72(155)58(141)35(12-121)175-105)74(157)60(143)44(184-109)21-167-96-49(113-27(4)132)64(147)83(38(15-124)178-96)188-103-76(159)70(153)56(139)33(10-119)173-103/h24,32-110,118-129,137-166H,9-23H2,1-8H3,(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)/t24-,32+,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+/m0/s1
InChIKeyASEONWHAFWURKH-UYMBKBFKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91861716 (CHEBI:147990) 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)-[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)][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(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G18814PPGlyTouCan
G18814PPGlyGen