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CHEBI:151148 - CID 91854421

ChEBI IDCHEBI:151148
ChEBI NameCID 91854421
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H161N7O75S
Net Charge0
Average Mass2669.407
Monoisotopic Mass2667.87202
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@H](O)[C@H](O[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]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](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](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](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,13,12/[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_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-2-6-7-4-2-6-7/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i2_j2-k1_k4-l1_l3-m2
InChIInChI=1S/C98H161N7O75S/c1-23(118)99-45-30(125)8-97(95(148)149,176-76(45)52(129)32(127)10-106)178-79-55(132)35(13-109)157-90(67(79)144)170-72-40(18-114)162-86(49(61(72)138)103-27(5)122)168-75-43(21-117)165-94(83(65(75)142)175-88-51(105-29(7)124)63(140)74(42(20-116)164-88)172-92-69(146)81(180-181(152,153)154)57(134)37(15-111)159-92)173-78-58(135)44(166-89(66(78)143)169-71-39(17-113)161-85(48(60(71)137)102-26(4)121)167-70-38(16-112)156-84(147)47(59(70)136)101-25(3)120)22-155-93-82(64(141)54(131)34(12-108)160-93)174-87-50(104-28(6)123)62(139)73(41(19-115)163-87)171-91-68(145)80(56(133)36(14-110)158-91)179-98(96(150)151)9-31(126)46(100-24(2)119)77(177-98)53(130)33(128)11-107/h30-94,106-117,125-147H,8-22H2,1-7H3,(H,99,118)(H,100,119)(H,101,120)(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,148,149)(H,150,151)(H,152,153,154)/t30-,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+,97-,98-/m0/s1
InChIKeyFTOJONVHFRHUEG-NMIGCHDWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91854421 (CHEBI:151148) 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->4)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[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)-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)[Gal3S(b1-4)GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G54599THGlyGen
G54599THGlyTouCan