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CHEBI:150448 - CID 91857058

Default Structure
ChEBI IDCHEBI:150448
ChEBI NameCID 91857058
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H183N7O78
Net Charge0
Average Mass2851.645
Monoisotopic Mass2850.05684
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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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](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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,16,15/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-2-4-2-6-2-5-6-5/a4-b1_a6-p1_b4-c1_c3-d1_c4-i1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_j2-k1_j6-m1_k4-l1_m3-n1_m4-o1
InChIInChI=1S/C110H183N7O78/c1-24-54(135)68(149)75(156)102(168-24)166-22-45-86(65(146)47(95(164)171-45)111-27(4)128)185-99-50(114-30(7)131)66(147)84(40(17-124)178-99)187-108-82(163)92(193-110-94(81(162)85(41(18-125)181-110)184-97-48(112-28(5)129)63(144)57(138)34(11-118)172-97)195-101-53(117-33(10)134)91(192-104-77(158)70(151)56(137)26(3)170-104)88(43(20-127)180-101)190-107-80(161)73(154)61(142)38(15-122)176-107)89(188-98-49(113-29(6)130)64(145)58(139)35(12-119)173-98)46(183-108)23-167-109-93(194-100-51(115-31(8)132)67(148)83(39(16-123)179-100)186-105-78(159)71(152)59(140)36(13-120)174-105)74(155)62(143)44(182-109)21-165-96-52(116-32(9)133)90(191-103-76(157)69(150)55(136)25(2)169-103)87(42(19-126)177-96)189-106-79(160)72(153)60(141)37(14-121)175-106/h24-26,34-110,118-127,135-164H,11-23H2,1-10H3,(H,111,128)(H,112,129)(H,113,130)(H,114,131)(H,115,132)(H,116,133)(H,117,134)/t24-,25-,26-,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
InChIKeyYXUYUFHWSPTJCG-BEYVYJPSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91857058 (CHEBI:150448) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[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)-[6-deoxy-alpha-L-galacto-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)][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
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G39125OYGlyTouCan
G39125OYGlyGen