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CHEBI:150462 - CID 91856077

Default Structure
ChEBI IDCHEBI:150462
ChEBI NameCID 91856077
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O82
Net Charge0
Average Mass2954.678
Monoisotopic Mass2953.04740
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)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@]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](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@]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)[C@@H]1O
WURCSWURCS=2.0/6,15,14/[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]/1-2-3-4-2-5-6-2-5-4-2-5-6-2-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_j2-k1_j6-n1_k4-l1_l3-m2_n4-o1
InChIInChI=1S/C112H184N8O82/c1-26(134)113-51-34(142)9-111(109(170)171,199-89(51)59(146)36(144)11-121)201-92-64(151)40(15-125)179-105(80(92)167)194-86-46(21-131)184-100(57(71(86)158)119-32(7)140)197-94-75(162)63(150)49(24-174-97-54(116-29(4)137)68(155)83(43(18-128)181-97)191-102-76(163)73(160)61(148)38(13-123)177-102)188-107(94)175-25-50-66(153)91(79(166)104(187-50)193-85-45(20-130)182-98(55(70(85)157)117-30(5)138)189-82-42(17-127)176-96(169)53(67(82)154)115-28(3)136)196-108-95(78(165)88(48(23-133)186-108)190-99-56(118-31(6)139)69(156)84(44(19-129)183-99)192-103-77(164)74(161)62(149)39(14-124)178-103)198-101-58(120-33(8)141)72(159)87(47(22-132)185-101)195-106-81(168)93(65(152)41(16-126)180-106)202-112(110(172)173)10-35(143)52(114-27(2)135)90(200-112)60(147)37(145)12-122/h34-108,121-133,142-169H,9-25H2,1-8H3,(H,113,134)(H,114,135)(H,115,136)(H,116,137)(H,117,138)(H,118,139)(H,119,140)(H,120,141)(H,170,171)(H,172,173)/t34-,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+,111-,112-/m0/s1
InChIKeyJZNXDKHPVDQLTC-XOJVRZOTSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91856077 (CHEBI:150462) 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)-[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)-[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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G39183DWGlyTouCan
G39183DWGlyGen