EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:148304 - CID 91845386

ChEBI IDCHEBI:148304
ChEBI NameCID 91845386
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H161N7O72
Net Charge0
Average Mass2589.343
Monoisotopic Mass2587.91520
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@]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](O)[C@H](O)[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@]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](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)O[C@H]1O
WURCSWURCS=2.0/5,13,12/[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]/1-1-2-3-1-4-5-3-1-4-1-4-5/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_h6-k1_i4-j1_k4-l1_l6-m2
InChIInChI=1S/C98H161N7O72/c1-23(115)99-45-30(122)8-97(95(149)150,176-79(45)52(126)32(124)10-106)155-21-43-56(130)66(140)71(145)90(165-43)170-75-37(15-111)160-85(48(61(75)135)102-26(4)118)153-19-41-58(132)69(143)82(174-87-50(104-28(6)120)63(137)76(38(16-112)162-87)169-89-70(144)65(139)54(128)34(12-108)158-89)93(167-41)154-20-42-59(133)81(73(147)92(164-42)172-78-40(18-114)161-86(49(62(78)136)103-27(5)119)168-74-36(14-110)157-84(148)47(60(74)134)101-25(3)117)173-94-83(68(142)55(129)35(13-109)159-94)175-88-51(105-29(7)121)64(138)77(39(17-113)163-88)171-91-72(146)67(141)57(131)44(166-91)22-156-98(96(151)152)9-31(123)46(100-24(2)116)80(177-98)53(127)33(125)11-107/h30-94,106-114,122-148H,8-22H2,1-7H3,(H,99,115)(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,149,150)(H,151,152)/t30-,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+,97+,98+/m0/s1
InChIKeyNOVMOTGEUGFVBV-LHYWNBJMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91845386 (CHEBI:148304) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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->6)-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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G20926BBGlyTouCan
G20926BBGlyGen