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CHEBI:147897 - CID 91846460

ChEBI IDCHEBI:147897
ChEBI NameCID 91846460
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC120H200N6O86
Net Charge0
Average Mass3102.876
Monoisotopic Mass3101.14611
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]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](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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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=2.0/6,18,17/[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]/1-2-3-4-2-5-6-2-5-6-2-5-6-4-2-5-6-5/a4-b1_a6-r1_b4-c1_c3-d1_c6-n1_d2-e1_d4-h1_e3-f1_e4-g1_h3-i1_h4-j1_j3-k1_k3-l1_k4-m1_n2-o1_o3-p1_o4-q1
InChIInChI=1S/C120H200N6O86/c1-25-55(144)68(157)77(166)109(180-25)178-24-48-90(66(155)49(103(177)185-48)121-30(6)138)199-104-50(122-31(7)139)67(156)88(41(17-132)191-104)200-118-87(176)100(65(154)47(197-118)23-179-119-101(76(165)63(152)39(15-130)190-119)211-107-53(125-34(10)142)97(207-112-80(169)71(160)58(147)28(4)183-112)92(44(20-135)194-107)202-115-83(172)74(163)61(150)37(13-128)187-115)210-120-102(212-108-54(126-35(11)143)98(208-113-81(170)72(161)59(148)29(5)184-113)93(45(21-136)195-108)203-116-84(173)75(164)62(151)38(14-129)188-116)85(174)89(42(18-133)196-120)198-105-51(123-32(8)140)95(205-110-78(167)69(158)56(145)26(2)181-110)94(46(22-137)192-105)204-117-86(175)99(64(153)40(16-131)189-117)209-106-52(124-33(9)141)96(206-111-79(168)70(159)57(146)27(3)182-111)91(43(19-134)193-106)201-114-82(171)73(162)60(149)36(12-127)186-114/h25-29,36-120,127-137,144-177H,12-24H2,1-11H3,(H,121,138)(H,122,139)(H,123,140)(H,124,141)(H,125,142)(H,126,143)/t25-,26-,27-,28-,29-,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-,117-,118-,119-,120+/m0/s1
InChIKeyBDUMTFVZVITIJS-VUFPIZQHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846460 (CHEBI:147897) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-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->3)-[6-deoxy-alpha-L-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
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-4)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G15216UPGlyGen
G15216UPGlyTouCan