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CHEBI:146617 - CID 71297944

ChEBI IDCHEBI:146617
ChEBI NameCID 71297944
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O82
Net Charge0
Average Mass2954.678
Monoisotopic Mass2953.04740
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H]3O[C@H](CO)[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]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,15,14/[a2122h-1x_1-5_2*NCC/3=O][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][a2112h-1a_1-5]/1-2-3-4-2-5-6-2-5-7-2-4-2-5-6/a4-b1_b4-c1_c3-d1_c4-k1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i4-j1_l2-m1_m4-n1_n6-o2
InChIInChI=1S/C112H184N8O82/c1-26(133)113-51-34(141)9-111(109(170)171,201-91(51)59(145)36(143)11-121)175-24-48-64(150)73(159)78(164)103(187-48)192-84-43(18-128)183-100(57(70(84)156)119-32(7)139)199-94-75(161)63(149)40(15-125)180-107(94)174-23-50-90(197-97-54(116-29(4)136)66(152)61(147)38(13-123)178-97)93(82(168)106(189-50)195-87-45(20-130)181-98(55(69(87)155)117-30(5)137)190-83-41(16-126)177-96(169)53(67(83)153)115-28(3)135)198-108-95(81(167)89(47(22-132)186-108)191-99-56(118-31(6)138)68(154)86(42(17-127)182-99)194-105-80(166)76(162)88(46(21-131)185-105)196-102-77(163)72(158)62(148)39(14-124)179-102)200-101-58(120-33(8)140)71(157)85(44(19-129)184-101)193-104-79(165)74(160)65(151)49(188-104)25-176-112(110(172)173)10-35(142)52(114-27(2)134)92(202-112)60(146)37(144)12-122/h34-108,121-132,141-169H,9-25H2,1-8H3,(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,170,171)(H,172,173)/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-,104-,105-,106-,107-,108+,111+,112+/m0/s1
InChIKeyAYXDDNVRXWXQKP-PKBGNXEHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297944 (CHEBI:146617) 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)-[alpha-D-galacto-hexopyranosyl-(1->4)-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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(a1-4)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G03750RDGlyGen
G03750RDGlyTouCan