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CHEBI:152367 - CID 91853217

ChEBI IDCHEBI:152367
ChEBI NameCID 91853217
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H171N7O76
Net Charge0
Average Mass2735.485
Monoisotopic Mass2733.97311
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@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](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]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=2.0/6,14,13/[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*NCC/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-6-4-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h4-j1_k2-l1_l4-m1_m3-n2
InChIInChI=1S/C104H171N7O76/c1-24-54(134)66(146)70(150)94(163-24)181-84-53(111-31(8)129)93(171-44(21-122)81(84)180-95-71(151)67(147)57(137)36(13-114)165-95)176-80-43(20-121)172-100(88(73(80)153)184-92-52(110-30(7)128)64(144)77(40(17-118)170-92)177-96-72(152)68(148)59(139)46(174-96)23-162-103(101(157)158)9-32(130)47(105-25(2)123)82(185-103)55(135)34(132)11-112)182-85-61(141)45(173-97(74(85)154)178-78-41(18-119)168-90(50(63(78)143)108-28(5)126)175-76-39(16-117)164-89(156)49(62(76)142)107-27(4)125)22-161-99-87(69(149)58(138)37(14-115)167-99)183-91-51(109-29(6)127)65(145)79(42(19-120)169-91)179-98-75(155)86(60(140)38(15-116)166-98)187-104(102(159)160)10-33(131)48(106-26(3)124)83(186-104)56(136)35(133)12-113/h24,32-100,112-122,130-156H,9-23H2,1-8H3,(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)(H,157,158)(H,159,160)/t24-,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-,100+,103+,104-/m0/s1
InChIKeyHITLMFBKMZPZCR-KEDFZVMYSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853217 (CHEBI:152367) 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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->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-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G61575RTGlyGen
G61575RTGlyTouCan