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CHEBI:154183 - CID 91855033

ChEBI IDCHEBI:154183
ChEBI NameCID 91855033
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H171N7O77
Net Charge0
Average Mass2751.484
Monoisotopic Mass2749.96802
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(=O)CO)[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=2.0/7,14,13/[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][Aad21122h-2a_2-6_5*NCCO/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-1-4-6-7/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/C104H171N7O77/c1-24-54(134)68(148)72(152)94(165-24)163-23-45-81(63(143)49(89(157)166-45)106-26(3)124)177-91-51(108-28(5)126)65(145)79(41(18-120)172-91)179-96-74(154)84(182-100-88(70(150)58(138)36(13-115)170-100)184-93-53(110-30(7)128)67(147)80(42(19-121)174-93)181-98-76(156)85(60(140)38(15-117)169-98)187-103(101(158)159)8-31(129)47(105-25(2)123)82(185-103)55(135)33(131)10-112)62(142)44(175-96)22-164-99-87(183-92-52(109-29(6)127)66(146)78(40(17-119)173-92)178-95-73(153)69(149)57(137)35(12-114)167-95)71(151)59(139)43(176-99)21-162-90-50(107-27(4)125)64(144)77(39(16-118)171-90)180-97-75(155)86(61(141)37(14-116)168-97)188-104(102(160)161)9-32(130)48(111-46(133)20-122)83(186-104)56(136)34(132)11-113/h24,31-45,47-100,112-122,129-132,134-157H,8-23H2,1-7H3,(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,133)(H,158,159)(H,160,161)/t24-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,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
InChIKeyFYNWKIPEKNIGDS-JHDMBCGVSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855033 (CHEBI:154183) 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)-[3,5-dideoxy-5-glycolamido-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)[NeuGc(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
G75902JLGlyGen
G75902JLGlyTouCan