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CHEBI:153836 - CID 91855309

ChEBI IDCHEBI:153836
ChEBI NameCID 91855309
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H171N7O76
Net Charge0
Average Mass2735.485
Monoisotopic Mass2733.97311
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@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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]5O)[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](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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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=2.0/6,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-1-4-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h6-k1_i4-j1_k4-l1_l3-m2
InChIInChI=1S/C104H171N7O76/c1-24-54(133)68(147)72(151)94(164-24)162-23-46-81(63(142)49(89(156)165-46)107-27(4)124)176-91-51(109-29(6)126)65(144)79(42(19-120)171-91)178-96-74(153)84(181-100-88(70(149)58(137)37(14-115)169-100)183-93-53(111-31(8)128)67(146)80(43(20-121)173-93)180-98-76(155)86(61(140)39(16-117)168-98)187-104(102(159)160)10-33(130)48(106-26(3)123)83(185-104)56(135)35(132)12-113)62(141)45(174-96)22-163-99-87(182-92-52(110-30(7)127)66(145)78(41(18-119)172-92)177-95-73(152)69(148)57(136)36(13-114)166-95)71(150)59(138)44(175-99)21-161-90-50(108-28(5)125)64(143)77(40(17-118)170-90)179-97-75(154)85(60(139)38(15-116)167-97)186-103(101(157)158)9-32(129)47(105-25(2)122)82(184-103)55(134)34(131)11-112/h24,32-100,112-121,129-156H,9-23H2,1-8H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,128)(H,157,158)(H,159,160)/t24-,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+,103-,104-/m0/s1
InChIKeyDEWAEDJUZRTCOG-XRDIPGIISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855309 (CHEBI:153836) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-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
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G80537QWGlyTouCan
G80537QWGlyGen