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CHEBI:148340 - CID 91846525

ChEBI IDCHEBI:148340
ChEBI NameCID 91846525
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC107H177N7O78
Net Charge0
Average Mass2809.564
Monoisotopic Mass2808.00989
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]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](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@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]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=2.0/6,15,14/[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]/1-1-2-3-1-4-5-1-4-3-1-4-1-6-4/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_j6-m1_k4-l1_m3-n1_m4-o1
InChIInChI=1S/C107H177N7O78/c1-24-54(135)67(148)73(154)98(167-24)188-88-53(114-31(8)132)93(172-43(20-125)86(88)187-101-76(157)70(151)58(139)36(13-118)171-101)164-21-44-60(141)72(153)90(190-96-51(112-29(6)130)65(146)82(39(16-121)175-96)184-100-75(156)69(150)57(138)35(12-117)170-100)104(180-44)165-22-45-61(142)89(79(160)103(178-45)186-84-41(18-123)173-94(49(64(84)145)110-27(4)128)181-80-37(14-119)168-92(161)48(62(80)143)109-26(3)127)189-105-91(78(159)85(42(19-124)177-105)182-95-50(111-28(5)129)63(144)81(38(15-120)174-95)183-99-74(155)68(149)56(137)34(11-116)169-99)191-97-52(113-30(7)131)66(147)83(40(17-122)176-97)185-102-77(158)71(152)59(140)46(179-102)23-166-107(106(162)163)9-32(133)47(108-25(2)126)87(192-107)55(136)33(134)10-115/h24,32-105,115-125,133-161H,9-23H2,1-8H3,(H,108,126)(H,109,127)(H,110,128)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,162,163)/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-,101-,102-,103-,104-,105+,107+/m0/s1
InChIKeyFLUDRIVVOCNHEC-KXBSVVKZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846525 (CHEBI:148340) 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)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[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->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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
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