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CHEBI:149037 - CID 91852622

ChEBI IDCHEBI:149037
ChEBI NameCID 91852622
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H171N7O77
Net Charge0
Average Mass2751.484
Monoisotopic Mass2749.96802
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@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]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@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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/7,14,13/[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][Aad21122h-2a_2-6_5*NCCO/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-4-6-3-1-4-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_l4-m1
InChIInChI=1S/C104H171N7O77/c1-24-54(135)67(148)70(151)94(164-24)162-23-45-81(62(143)49(89(157)165-45)106-26(3)125)177-91-51(108-28(5)127)64(145)77(40(17-119)171-91)179-96-73(154)84(61(142)44(175-96)22-163-99-87(69(150)58(139)36(13-115)169-99)183-92-52(109-29(6)128)65(146)76(39(16-118)172-92)178-95-71(152)68(149)57(138)35(12-114)166-95)182-100-88(184-93-53(110-30(7)129)66(147)79(42(19-121)173-93)181-98-74(155)85(59(140)37(14-116)168-98)187-103(101(158)159)8-31(130)47(105-25(2)124)82(185-103)55(136)33(132)10-112)72(153)80(43(20-122)174-100)176-90-50(107-27(4)126)63(144)78(41(18-120)170-90)180-97-75(156)86(60(141)38(15-117)167-97)188-104(102(160)161)9-32(131)48(111-46(134)21-123)83(186-104)56(137)34(133)11-113/h24,31-45,47-100,112-123,130-133,135-157H,8-23H2,1-7H3,(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,134)(H,158,159)(H,160,161)/t24-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,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
InChIKeyCVKYXZNJHOZPDI-JSHRDDDNSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852622 (CHEBI:149037) is a polysaccharide (CHEBI:18154)
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)-[3,5-dideoxy-5-glycolamido-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->4)]-alpha-D-manno-hexopyranosyl-(1->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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G24920KEGlyTouCan
G24920KEGlyGen