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CHEBI:150338 - CID 71297897

ChEBI IDCHEBI:150338
ChEBI NameCID 71297897
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC95H157N7O69
Net Charge0
Average Mass2501.281
Monoisotopic Mass2499.89916
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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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](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=2.0/7,13,12/[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][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1a_1-5]/1-2-3-4-2-5-6-2-2-4-2-5-7/a4-b1_b4-c1_c3-d1_c4-i1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_j2-k1_k4-l1_l4-m1
InChIInChI=1S/C95H157N7O69/c1-22(114)96-43-29(121)8-95(94(145)146,171-78(43)50(123)30(122)9-103)148-21-41-55(128)63(136)67(140)89(159-41)163-72-36(15-109)156-87(49(61(72)134)102-28(7)120)170-81-69(142)76(162-83-45(98-24(3)116)56(129)51(124)31(10-104)150-83)40(19-113)158-93(81)168-79-70(143)91(165-74-38(17-111)154-85(47(59(74)132)100-26(5)118)161-71-35(14-108)149-82(144)44(58(71)131)97-23(2)115)160-42(77(79)167-84-46(99-25(4)117)57(130)52(125)32(11-105)151-84)20-147-92-80(64(137)54(127)34(13-107)153-92)169-86-48(101-27(6)119)60(133)73(37(16-110)155-86)164-90-68(141)65(138)75(39(18-112)157-90)166-88-66(139)62(135)53(126)33(12-106)152-88/h29-93,103-113,121-144H,8-21H2,1-7H3,(H,96,114)(H,97,115)(H,98,116)(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,145,146)/t29-,30+,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+,95+/m0/s1
InChIKeyHWBDMTDSKMVSOT-JMPOBDRGSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297897 (CHEBI:150338) 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)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-galacto-hexopyranosyl-(1->4)-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)[GlcNAc(b1-4)]Man(a1-3)[Gal(a1-4)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G38659HFGlyTouCan
G38659HFGlyGen