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CHEBI:146512 - CID 71297995

ChEBI IDCHEBI:146512
ChEBI NameCID 71297995
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC94H157N5O70
Net Charge0
Average Mass2477.255
Monoisotopic Mass2475.88792
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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,14,13/[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][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-6-4-2-5-6-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i1_j2-k1_k4-l1_l3-m1
InChIInChI=1S/C94H157N5O70/c1-20-44(116)57(129)62(134)86(145-20)143-19-38-75(52(124)39(81(142)146-38)95-21(2)111)160-83-41(97-23(4)113)54(126)73(34(15-108)154-83)164-92-69(141)78(51(123)37(158-92)18-144-93-79(61(133)48(120)29(10-103)152-93)168-84-42(98-24(5)114)56(128)72(35(16-109)155-84)163-91-68(140)77(50(122)31(12-105)151-91)166-89-65(137)60(132)47(119)28(9-102)149-89)167-94-80(169-85-43(99-25(6)115)55(127)70(32(13-106)156-85)161-87-63(135)58(130)45(117)26(7-100)147-87)66(138)74(36(17-110)157-94)159-82-40(96-22(3)112)53(125)71(33(14-107)153-82)162-90-67(139)76(49(121)30(11-104)150-90)165-88-64(136)59(131)46(118)27(8-101)148-88/h20,26-94,100-110,116-142H,7-19H2,1-6H3,(H,95,111)(H,96,112)(H,97,113)(H,98,114)(H,99,115)/t20-,26+,27+,28+,29+,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-,94+/m0/s1
InChIKeyRNVDDUQXRBHMMZ-XZOVYVDESA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297995 (CHEBI:146512) is a polysaccharide (CHEBI:18154)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-galacto-hexopyranosyl-(1->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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(a1-3)Gal(b1-4)GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G03207XQGlyGen
G03207XQGlyTouCan