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CHEBI:153172 - CID 91852288

Default Structure
ChEBI IDCHEBI:153172
ChEBI NameCID 91852288
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H167N7O75
Net Charge0
Average Mass2679.421
Monoisotopic Mass2677.94689
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]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]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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](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=2.0/5,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-1-2-3-1-4-5-1-4-3-1-4-1-4/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_j6-m1_k4-l1_m4-n1
InChIInChI=1S/C101H167N7O75/c1-23(121)102-46-59(137)76(34(12-113)160-87(46)154)173-89-48(104-25(3)123)62(140)81(39(17-118)165-89)179-97-75(153)84(58(136)42(170-97)21-158-98-85(181-91-50(106-27(5)125)63(141)79(37(15-116)167-91)177-95-72(150)67(145)55(133)33(11-112)163-95)69(147)57(135)41(172-98)20-157-88-47(103-24(2)122)60(138)77(35(13-114)164-88)175-93-70(148)65(143)53(131)31(9-110)161-93)180-99-86(74(152)82(40(18-119)169-99)174-90-49(105-26(4)124)61(139)78(36(14-115)166-90)176-94-71(149)66(144)54(132)32(10-111)162-94)182-92-51(107-28(6)126)64(142)80(38(16-117)168-92)178-96-73(151)68(146)56(134)43(171-96)22-159-101(100(155)156)7-29(127)45(108-44(129)19-120)83(183-101)52(130)30(128)8-109/h29-43,45-99,109-120,127-128,130-154H,7-22H2,1-6H3,(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,106,125)(H,107,126)(H,108,129)(H,155,156)/t29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,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+,101+/m0/s1
InChIKeyDEQOVSHFTBXPBU-IDATZSMLSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852288 (CHEBI:153172) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuGc(a2-6)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)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G68845SPGlyTouCan