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CHEBI:148863 - CID 91851155

ChEBI IDCHEBI:148863
ChEBI NameCID 91851155
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC116H193N7O84
Net Charge0
Average Mass3029.785
Monoisotopic Mass3028.10458
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]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]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@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[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]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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,17,16/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-6-4-2-6-2-6-2-6-5/a4-b1_a6-q1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_j2-k1_j6-o1_k4-l1_l3-m1_m4-n1_o4-p1
InChIInChI=1S/C116H193N7O84/c1-25-56(143)71(158)78(165)107(178-25)176-24-48-93(65(152)49(100(174)180-48)117-27(3)136)196-103-52(120-30(6)139)68(155)91(42(18-132)188-103)201-114-86(173)97(205-116-99(84(171)92(44(20-134)192-116)195-102-51(119-29(5)138)67(154)88(40(16-130)187-102)198-110-81(168)74(161)59(146)35(11-125)182-110)207-106-55(123-33(9)142)95(203-108-79(166)72(159)57(144)26(2)179-108)94(45(21-135)191-106)202-112-83(170)76(163)61(148)37(13-127)184-112)64(151)47(193-114)23-177-115-98(77(164)62(149)46(194-115)22-175-101-50(118-28(4)137)66(153)87(39(15-129)186-101)197-109-80(167)73(160)58(145)34(10-124)181-109)206-105-54(122-32(8)141)70(157)90(43(19-133)190-105)200-113-85(172)96(63(150)38(14-128)185-113)204-104-53(121-31(7)140)69(156)89(41(17-131)189-104)199-111-82(169)75(162)60(147)36(12-126)183-111/h25-26,34-116,124-135,143-174H,10-24H2,1-9H3,(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)/t25-,26-,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-,113-,114-,115-,116+/m0/s1
InChIKeyAIWCTXKAATUGJQ-BFZLWCOWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91851155 (CHEBI:148863) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
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G30060ZOGlyGen