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CHEBI:149127 - CID 91845093

ChEBI IDCHEBI:149127
ChEBI NameCID 91845093
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC128H213N7O91
Net Charge0
Average Mass3306.070
Monoisotopic Mass3304.22548
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]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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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]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]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]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]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=2.0/6,19,18/[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]/1-2-3-4-2-5-6-2-5-6-5-2-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c4-l1_c6-m1_d2-e1_d4-h1_e3-f1_e4-g1_h3-i1_h4-j1_j2-k1_m2-n1_m6-q1_n3-o1_n4-p1_q3-r1_q4-s1
InChIInChI=1S/C128H213N7O91/c1-27-60(155)74(169)84(179)117(192-27)219-102-56(132-35(9)151)111(203-47(21-144)97(102)215-122-89(184)79(174)66(161)40(14-137)199-122)190-25-51-70(165)83(178)107(224-115-58(134-37(11)153)103(220-118-85(180)75(170)61(156)28(2)193-118)98(48(22-145)206-115)216-123-90(185)80(175)67(162)41(15-138)200-123)126(209-51)191-26-52-101(214-112-54(130-33(7)149)71(166)65(160)39(13-136)198-112)106(93(188)125(210-52)213-95-45(19-142)204-113(55(73(95)168)131-34(8)150)211-94-44(18-141)197-110(189)53(72(94)167)129-32(6)148)223-128-109(225-116-59(135-38(12)154)104(221-119-86(181)76(171)62(157)29(3)194-119)99(49(23-146)207-116)217-124-91(186)81(176)68(163)42(16-139)201-124)92(187)96(46(20-143)208-128)212-114-57(133-36(10)152)105(222-120-87(182)77(172)63(158)30(4)195-120)100(50(24-147)205-114)218-127-108(82(177)69(164)43(17-140)202-127)226-121-88(183)78(173)64(159)31(5)196-121/h27-31,39-128,136-147,155-189H,13-26H2,1-12H3,(H,129,148)(H,130,149)(H,131,150)(H,132,151)(H,133,152)(H,134,153)(H,135,154)/t27-,28-,29-,30-,31-,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-,121-,122-,123-,124-,125-,126-,127-,128+/m0/s1
InChIKeyOGHHPMATKAOUQQ-YUROTAMSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91845093 (CHEBI:149127) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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
Fuc(a1-2)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)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G31040SLGlyTouCan
G31040SLGlyGen