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CHEBI:150452 - CID 91860836

Default Structure
ChEBI IDCHEBI:150452
ChEBI NameCID 91860836
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC108H180N6O77
Net Charge0
Average Mass2794.593
Monoisotopic Mass2793.03538
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[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)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](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]/1-2-3-4-2-5-6-2-4-2-5-6-2-5-6-5/a4-b1_a6-p1_b4-c1_c3-d1_c6-i1_d2-e1_d4-h1_e3-f1_e4-g1_i2-j1_i6-m1_j3-k1_j4-l1_m3-n1_m4-o1
InChIInChI=1S/C108H180N6O77/c1-23-51(130)64(143)72(151)99(164-23)162-22-44-83(62(141)45(93(160)168-44)109-27(5)124)181-96-47(111-29(7)126)63(142)81(37(15-119)174-96)182-106-80(159)90(189-108-92(79(158)82(38(16-120)177-108)180-95-46(110-28(6)125)61(140)55(134)33(11-115)169-95)191-98-50(114-32(10)129)89(188-102-75(154)67(146)54(133)26(4)167-102)86(41(19-123)176-98)185-105-78(157)70(149)58(137)36(14-118)172-105)60(139)43(178-106)21-163-107-91(190-97-49(113-31(9)128)88(187-101-74(153)66(145)53(132)25(3)166-101)85(40(18-122)175-97)184-104-77(156)69(148)57(136)35(13-117)171-104)71(150)59(138)42(179-107)20-161-94-48(112-30(8)127)87(186-100-73(152)65(144)52(131)24(2)165-100)84(39(17-121)173-94)183-103-76(155)68(147)56(135)34(12-116)170-103/h23-26,33-108,115-123,130-160H,11-22H2,1-10H3,(H,109,124)(H,110,125)(H,111,126)(H,112,127)(H,113,128)(H,114,129)/t23-,24-,25-,26-,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
InChIKeyRESVOZIDUFVRRT-YTJHIFCXSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860836 (CHEBI:150452) 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)-[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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[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)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G41670EFGlyGen
G41670EFGlyTouCan