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CHEBI:148465 - CID 91853126

ChEBI IDCHEBI:148465
ChEBI NameCID 91853126
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC99H164N6O71
Net Charge0
Average Mass2574.372
Monoisotopic Mass2572.94069
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[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]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O
WURCSWURCS=2.0/5,14,13/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-4-3-2-4-5-3-2-4/a3-b1_a6-l1_b3-c1_b6-k2_c4-d1_d3-e1_d6-h1_e3-f1_f2-g1_h3-i1_i2-j1_l4-m1_m2-n1
InChIInChI=1S/C99H164N6O71/c1-22-49(122)63(136)69(142)90(153-22)173-82-66(139)53(126)33(12-107)159-95(82)167-75-38(17-112)162-86(44(61(75)134)101-26(5)115)150-19-40-58(131)76(46(85(147)156-40)103-28(7)117)168-94-73(146)81(60(133)42(165-94)21-152-99(98(148)149)10-31(120)43(100-25(4)114)79(176-99)52(125)32(121)11-106)171-88-45(102-27(6)116)62(135)74(39(18-113)163-88)166-93-72(145)80(172-89-48(105-30(9)119)78(57(130)37(16-111)158-89)170-97-84(68(141)55(128)35(14-109)161-97)175-92-71(144)65(138)51(124)24(3)155-92)59(132)41(164-93)20-151-87-47(104-29(8)118)77(56(129)36(15-110)157-87)169-96-83(67(140)54(127)34(13-108)160-96)174-91-70(143)64(137)50(123)23(2)154-91/h22-24,31-97,106-113,120-147H,10-21H2,1-9H3,(H,100,114)(H,101,115)(H,102,116)(H,103,117)(H,104,118)(H,105,119)(H,148,149)/t22-,23-,24-,31-,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-,99+/m0/s1
InChIKeyHKHFPEYFNRBHIF-CVOFABBGSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853126 (CHEBI:148465) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-3)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]a-GalNAcSUBMITTER
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