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CHEBI:149366 - CID 91861798

ChEBI IDCHEBI:149366
ChEBI NameCID 91861798
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H165N7O75
Net Charge0
Average Mass2677.405
Monoisotopic Mass2675.93124
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)[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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,13,12/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5-6-3-4-5-6-4-5-6/a4-b1_b3-c1_b6-g1_c2-d1_d4-e1_e3-f2_g2-h1_g6-k1_h4-i1_i3-j2_k4-l1_l3-m2
InChIInChI=1S/C101H165N7O75/c1-24(120)102-47-31(127)8-99(96(153)154,178-77(47)54(133)34(130)11-109)181-81-59(138)38(15-113)162-91(70(81)149)172-74-42(19-117)166-87(51(64(74)143)106-28(5)124)159-22-45-58(137)68(147)84(176-88-52(107-29(6)125)65(144)75(43(20-118)167-88)173-92-71(150)82(60(139)39(16-114)163-92)182-100(97(155)156)9-32(128)48(103-25(2)121)78(179-100)55(134)35(131)12-110)94(170-45)160-23-46-62(141)80(69(148)90(169-46)171-73-41(18-116)161-86(152)50(63(73)142)105-27(4)123)175-95-85(67(146)57(136)37(14-112)165-95)177-89-53(108-30(7)126)66(145)76(44(21-119)168-89)174-93-72(151)83(61(140)40(17-115)164-93)183-101(98(157)158)10-33(129)49(104-26(3)122)79(180-101)56(135)36(132)13-111/h31-95,109-119,127-152H,8-23H2,1-7H3,(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,153,154)(H,155,156)(H,157,158)/t31-,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+,99-,100-,101-/m0/s1
InChIKeyLNIZWEQDPLNAKJ-FELUNMCISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91861798 (CHEBI:149366) 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->2)-[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)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G33617JJGlyGen
G33617JJGlyTouCan