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CHEBI:146113 - CID 91850549

ChEBI IDCHEBI:146113
ChEBI NameCID 91850549
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H187N5O82
Net Charge0
Average Mass2915.681
Monoisotopic Mass2914.06165
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/6,17,16/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-1-2-3-1-4-5-1-4-5-6-3-1-4-5-6-5/a4-b1_a6-q1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f2-g1_h4-i1_i2-j1_i3-k1_l2-m1_m4-n1_n2-o1_n3-p1
InChIInChI=1S/C112H187N5O82/c1-23-50(134)66(150)74(158)101(169-23)167-22-44-87(61(145)45(96(166)173-44)113-27(5)129)187-98-46(114-28(6)130)62(146)82(38(16-124)180-98)188-107-81(165)88(60(144)43(185-107)21-168-108-91(72(156)56(140)34(12-120)176-108)195-99-48(116-30(8)132)65(149)85(41(19-127)182-99)191-112-95(199-104-77(161)69(153)53(137)26(4)172-104)90(59(143)37(15-123)179-112)194-106-79(163)71(155)55(139)33(11-119)175-106)192-110-93(196-100-49(117-31(9)133)64(148)83(39(17-125)183-100)189-109-92(73(157)57(141)35(13-121)177-109)197-102-75(159)67(151)51(135)24(2)170-102)80(164)86(42(20-128)184-110)186-97-47(115-29(7)131)63(147)84(40(18-126)181-97)190-111-94(198-103-76(160)68(152)52(136)25(3)171-103)89(58(142)36(14-122)178-111)193-105-78(162)70(154)54(138)32(10-118)174-105/h23-26,32-112,118-128,134-166H,10-22H2,1-9H3,(H,113,129)(H,114,130)(H,115,131)(H,116,132)(H,117,133)/t23-,24-,25-,26-,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-,98-,99-,100-,101+,102-,103-,104-,105+,106+,107-,108-,109-,110+,111-,112-/m0/s1
InChIKeyMIPUDYABJZXMRC-XPUZUGSUSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91850549 (CHEBI:146113) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[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-beta-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-2)Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G00797ZXGlyGen
G00797ZXGlyTouCan