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CHEBI:152601 - CID 91859712

Default Structure
ChEBI IDCHEBI:152601
ChEBI NameCID 91859712
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC100H166N8O70
Net Charge0
Average Mass2600.414
Monoisotopic Mass2598.96757
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]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](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]5NC(C)=O)[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]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]5NC(C)=O)[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=2.0/6,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-5-3-1-4-1-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1
InChIInChI=1S/C100H166N8O70/c1-23-53(127)68(142)72(146)95(155-23)153-22-44-83(62(136)45(87(151)156-44)101-24(2)119)172-92-50(106-29(7)124)67(141)81(40(18-117)163-92)175-98-76(150)84(176-100-86(178-94-52(108-31(9)126)65(139)78(38(16-115)165-94)170-90-47(103-26(4)121)61(135)55(129)33(11-110)158-90)75(149)82(41(19-118)166-100)171-91-49(105-28(6)123)66(140)80(39(17-116)162-91)174-97-74(148)70(144)57(131)35(13-112)160-97)59(133)43(167-98)21-154-99-85(177-93-51(107-30(8)125)64(138)77(37(15-114)164-93)169-89-46(102-25(3)120)60(134)54(128)32(10-109)157-89)71(145)58(132)42(168-99)20-152-88-48(104-27(5)122)63(137)79(36(14-113)161-88)173-96-73(147)69(143)56(130)34(12-111)159-96/h23,32-100,109-118,127-151H,10-22H2,1-9H3,(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,106,124)(H,107,125)(H,108,126)/t23-,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+/m0/s1
InChIKeyAKWPSQWQDBXCDL-PAAHFVKKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91859712 (CHEBI:152601) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
2-acetamido-2-deoxy-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)-[2-acetamido-2-deoxy-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)]-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
GalNAc(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[GalNAc(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G63065KGGlyGen
G63065KGGlyTouCan