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CHEBI:154943 - CID 91846107

Default Structure
ChEBI IDCHEBI:154943
ChEBI NameCID 91846107
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC108H180N6O78
Net Charge0
Average Mass2810.592
Monoisotopic Mass2809.03029
SMILESCC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO[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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[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]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]3O)O[C@H](CO)[C@@H](O[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)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/6,16,15/[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]/1-2-3-4-2-5-6-2-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_j2-k1_j6-n1_k3-l1_k4-m1_n3-o1_n4-p1
InChIInChI=1S/C108H180N6O78/c1-23-51(132)63(144)71(152)99(164-23)187-87-48(112-29(7)129)94(172-40(18-123)84(87)184-103-75(156)67(148)55(136)33(11-116)169-103)162-21-43-58(139)70(151)91(191-97-49(113-30(8)130)88(188-100-72(153)64(145)52(133)24(2)165-100)85(41(19-124)175-97)185-104-76(157)68(149)56(137)34(12-117)170-104)107(179-43)163-22-44-59(140)90(79(160)106(178-44)183-82-38(16-121)173-95(46(62(82)143)110-27(5)127)180-80-36(14-119)167-93(161)45(60(80)141)109-26(4)126)190-108-92(78(159)83(39(17-122)177-108)181-96-47(111-28(6)128)61(142)81(37(15-120)174-96)182-102-74(155)66(147)54(135)32(10-115)168-102)192-98-50(114-31(9)131)89(189-101-73(154)65(146)53(134)25(3)166-101)86(42(20-125)176-98)186-105-77(158)69(150)57(138)35(13-118)171-105/h23-25,32-108,115-125,132-161H,10-22H2,1-9H3,(H,109,126)(H,110,127)(H,111,128)(H,112,129)(H,113,130)(H,114,131)/t23-,24-,25-,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+/m0/s1
InChIKeyXAERXRJGKTXLEM-GJLBFFJZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846107 (CHEBI:154943) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
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->2)-[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->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)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G84680HDGlyTouCan
G84680HDGlyGen