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CHEBI:156984 - CID 146016115

Default Structure
ChEBI IDCHEBI:156984
ChEBI NameCID 146016115
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H165N7O75
Net Charge0
Average Mass2677.405
Monoisotopic Mass2675.93124
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)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](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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@H](O)[C@H](O[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]2O)[C@@H]1O
WURCSWURCS=2.0/5,13,12/[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]/1-2-3-1-4-5-1-4-5-3-1-4-5/a4-b1_b3-c1_b6-j1_c2-d1_c4-g1_d4-e1_e3-f2_g4-h1_h3-i2_j2-k1_k4-l1_l3-m2
InChIInChI=1S/C101H165N7O75/c1-24(121)102-47-31(128)8-99(96(153)154,178-77(47)54(134)34(131)11-109)181-81-58(138)38(15-113)161-91(69(81)149)172-73-42(19-117)165-87(51(63(73)143)106-28(5)125)170-76-45(22-120)168-95(85(67(76)147)177-89-53(108-30(7)127)65(145)75(44(21-119)167-89)174-93-71(151)83(60(140)40(17-115)163-93)183-101(98(157)158)10-33(130)49(104-26(3)123)79(180-101)56(136)36(133)13-111)175-80-61(141)46(169-90(68(80)148)171-72-41(18-116)160-86(152)50(62(72)142)105-27(4)124)23-159-94-84(66(146)57(137)37(14-112)164-94)176-88-52(107-29(6)126)64(144)74(43(20-118)166-88)173-92-70(150)82(59(139)39(16-114)162-92)182-100(97(155)156)9-32(129)48(103-25(2)122)78(179-100)55(135)35(132)12-110/h31-95,109-120,128-152H,8-23H2,1-7H3,(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,153,154)(H,155,156)(H,157,158)/t31-,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+,99-,100-,101-/m0/s1
InChIKeyHWKPVFJFXWKHSJ-HIXDEPCHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146016115 (CHEBI:156984) 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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G98236VKGlyGen
G98236VKGlyTouCan