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CHEBI:148134 - CID 91855493

ChEBI IDCHEBI:148134
ChEBI NameCID 91855493
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O85
Net Charge0
Average Mass3042.740
Monoisotopic Mass3041.06344
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](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(C)=O)[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](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@]7(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[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(C)=O)[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=2.0/7,15,14/[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][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-1-2-3-1-4-5-1-6-4-7-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h4-j1_j3-k2_l2-m1_m4-n1_n6-o2
InChIInChI=1S/C115H188N8O85/c1-27-61(150)74(163)78(167)103(183-27)201-93-60(122-34(8)142)102(190-48(22-134)89(93)200-107-83(172)95(68(157)42(16-128)185-107)208-115(112(178)179)11-37(145)55(123-52(149)23-135)92(207-115)64(153)40(148)14-126)196-88-47(21-133)191-109(97(81(88)170)204-101-59(121-33(7)141)73(162)86(45(19-131)189-101)198-105-80(169)76(165)67(156)51(194-105)26-182-114(111(176)177)10-36(144)54(117-29(3)137)91(206-114)63(152)39(147)13-125)202-94-69(158)49(192-106(82(94)171)199-87-46(20-132)187-99(57(71(87)160)119-31(5)139)195-84-43(17-129)184-98(173)56(70(84)159)118-30(4)138)24-180-108-96(77(166)65(154)41(15-127)186-108)203-100-58(120-32(6)140)72(161)85(44(18-130)188-100)197-104-79(168)75(164)66(155)50(193-104)25-181-113(110(174)175)9-35(143)53(116-28(2)136)90(205-113)62(151)38(146)12-124/h27,35-51,53-109,124-135,143-148,150-173H,9-26H2,1-8H3,(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,149)(H,174,175)(H,176,177)(H,178,179)/t27-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,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+,113+,114+,115-/m0/s1
InChIKeyWPRPWHJQBMJSNH-ORMBAZPPSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855493 (CHEBI:148134) is a polysaccharide (CHEBI:18154)
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)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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->6)-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-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G19243TVGlyTouCan
G19243TVGlyGen