EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:157075 - CID 146016178

Default Structure
ChEBI IDCHEBI:157075
ChEBI NameCID 146016178
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H173N7O75
Net Charge0
Average Mass2721.502
Monoisotopic Mass2719.99385
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](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]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@@H](O)[C@H](O)[C@@H]7O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7NC(C)=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]5O)[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=2.0/5,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-1-3-1-4-1-4-5/a4-b1_a6-o1_b4-c1_c3-d1_d2-e1_d4-g1_e4-f1_g4-h1_h4-i1_h6-j1_j2-k1_j6-m1_k4-l1_m4-n1
InChIInChI=1S/C104H173N7O75/c1-23-52(130)66(144)72(150)97(161-23)159-21-43-85(60(138)45(90(157)162-43)105-24(2)123)177-94-49(109-28(6)127)63(141)83(40(18-121)170-94)183-102-78(156)87(58(136)35(13-116)167-102)184-104-89(186-96-51(111-30(8)129)65(143)81(39(17-120)172-96)181-100-75(153)69(147)56(134)34(12-115)166-100)77(155)84(41(19-122)173-104)176-93-48(108-27(5)126)62(140)82(37(15-118)169-93)182-101-76(154)71(149)86(178-92-46(106-25(3)124)59(137)53(131)31(9-112)163-92)44(175-101)22-160-103-88(185-95-50(110-29(7)128)64(142)80(38(16-119)171-95)180-99-74(152)68(146)55(133)33(11-114)165-99)70(148)57(135)42(174-103)20-158-91-47(107-26(4)125)61(139)79(36(14-117)168-91)179-98-73(151)67(145)54(132)32(10-113)164-98/h23,31-104,112-122,130-157H,9-22H2,1-8H3,(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)/t23-,31+,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+/m0/s1
InChIKeyVRUQWEJBQJQUPA-HXYACTLLSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146016178 (CHEBI:157075) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
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)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-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-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[GlcNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G23936WLGlyGen
G23936WLGlyTouCan