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CHEBI:154990 - CID 91860937

ChEBI IDCHEBI:154990
ChEBI NameCID 91860937
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC109H178N8O80
Net Charge0
Average Mass2880.599
Monoisotopic Mass2879.01062
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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[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@]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=2.0/5,14,13/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d6-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_l4-m1_m6-n2
InChIInChI=1S/C109H178N8O80/c1-26(127)110-51-34(135)9-107(104(165)166,195-87(51)59(141)37(138)12-118)173-23-48-63(145)73(155)78(160)98(183-48)188-83-42(17-123)178-94(55(69(83)151)114-30(5)131)171-21-46-66(148)77(159)92(194-97-58(117-33(8)134)72(154)85(44(19-125)181-97)190-100-80(162)75(157)65(147)50(185-100)25-175-109(106(169)170)11-36(137)53(112-28(3)129)89(197-109)61(143)39(140)14-120)103(186-46)192-90-67(149)47(182-101(81(90)163)191-86-45(20-126)179-95(56(70(86)152)115-31(6)132)187-82-41(16-122)176-93(164)54(68(82)150)113-29(4)130)22-172-102-91(76(158)62(144)40(15-121)177-102)193-96-57(116-32(7)133)71(153)84(43(18-124)180-96)189-99-79(161)74(156)64(146)49(184-99)24-174-108(105(167)168)10-35(136)52(111-27(2)128)88(196-108)60(142)38(139)13-119/h34-103,118-126,135-164H,9-25H2,1-8H3,(H,110,127)(H,111,128)(H,112,129)(H,113,130)(H,114,131)(H,115,132)(H,116,133)(H,117,134)(H,165,166)(H,167,168)(H,169,170)/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+,107+,108+,109+/m0/s1
InChIKeyYZVOKWDTEJAATD-CYXXLZOTSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860937 (CHEBI:154990) 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)-[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->6)]-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)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
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