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CHEBI:150969 - CID 71297943

Default Structure
ChEBI IDCHEBI:150969
ChEBI NameCID 71297943
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H167N7O74
Net Charge0
Average Mass2663.422
Monoisotopic Mass2661.95198
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO)[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@H](CO)[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]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,14,13/[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][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1a_1-5]/1-2-3-4-2-5-6-2-5-2-4-2-5-7/a4-b1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_k2-l1_l4-m1_m4-n1
InChIInChI=1S/C101H167N7O74/c1-23(121)102-45-30(128)8-101(100(154)155,182-83(45)52(130)31(129)9-109)157-22-43-57(135)66(144)71(149)95(169-43)174-77-38(16-116)166-92(51(63(77)141)108-29(7)127)181-86-73(151)81(172-90-49(106-27(5)125)60(138)76(37(15-115)164-90)173-93-69(147)64(142)54(132)33(11-111)160-93)42(20-120)168-99(86)179-84-74(152)97(176-79-40(18-118)163-89(48(61(79)139)105-26(4)124)171-75-36(14-114)158-87(153)46(59(75)137)103-24(2)122)170-44(82(84)178-88-47(104-25(3)123)58(136)53(131)32(10-110)159-88)21-156-98-85(67(145)56(134)35(13-113)162-98)180-91-50(107-28(6)126)62(140)78(39(17-117)165-91)175-96-72(150)68(146)80(41(19-119)167-96)177-94-70(148)65(143)55(133)34(12-112)161-94/h30-99,109-120,128-153H,8-22H2,1-7H3,(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,154,155)/t30-,31+,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+,101+/m0/s1
InChIKeyFPQBJWAOSJCCBG-IKJJWOIUSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297943 (CHEBI:150969) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-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)-[alpha-D-galacto-hexopyranosyl-(1->4)-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)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(a1-4)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
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