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CHEBI:146675 - CID 91851984

ChEBI IDCHEBI:146675
ChEBI NameCID 91851984
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O88S2
Net Charge0
Average Mass3114.806
Monoisotopic Mass3112.96103
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]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](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](OS(=O)(=O)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@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=2.0/7,15,14/[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_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-2-5-4-2-6-7-2-6-7/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-m1_j4-k1_k3-l2_m4-n1_n3-o2
InChIInChI=1S/C112H184N8O88S2/c1-26(134)113-51-34(142)9-111(109(168)169,203-87(51)59(146)36(144)11-121)205-90-62(149)38(13-123)181-103(76(90)163)196-81-43(18-128)185-97(54(68(81)155)116-29(4)137)178-24-49-61(148)73(160)94(201-100-57(119-32(7)140)71(158)83(46(21-131)188-100)197-104-77(164)91(63(150)39(14-124)182-104)206-112(110(170)171)10-35(143)52(114-27(2)135)88(204-112)60(147)37(145)12-122)107(192-49)179-25-50-66(153)89(75(162)102(191-50)195-82-44(19-129)186-98(55(69(82)156)117-30(5)138)193-80-42(17-127)180-96(167)53(67(80)154)115-28(3)136)200-108-95(202-101-58(120-33(8)141)72(159)85(47(22-132)189-101)199-106-79(166)93(208-210(175,176)177)65(152)41(16-126)184-106)74(161)86(48(23-133)190-108)194-99-56(118-31(6)139)70(157)84(45(20-130)187-99)198-105-78(165)92(207-209(172,173)174)64(151)40(15-125)183-105/h34-108,121-133,142-167H,9-25H2,1-8H3,(H,113,134)(H,114,135)(H,115,136)(H,116,137)(H,117,138)(H,118,139)(H,119,140)(H,120,141)(H,168,169)(H,170,171)(H,172,173,174)(H,175,176,177)/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
InChIKeyDIORWWBIVKEGOF-GIAYYKJRSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91851984 (CHEBI:146675) 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)-[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->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)]-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(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal3S(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G04023GJGlyGen
G04023GJGlyTouCan