EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:155534 - CID 91860361

ChEBI IDCHEBI:155534
ChEBI NameCID 91860361
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H165N7O75
Net Charge0
Average Mass2677.405
Monoisotopic Mass2675.93124
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[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](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[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]/1-2-3-1-4-5-1-4-5-3-1-4-5/a4-b1_b3-c1_b6-j1_c2-d1_c4-g1_d4-e1_e6-f2_g4-h1_h3-i2_j2-k1_k4-l1_l6-m2
InChIInChI=1S/C101H165N7O75/c1-24(119)102-47-31(126)8-99(96(153)154,180-79(47)54(132)34(129)11-109)160-22-45-58(136)66(144)69(147)90(170-45)173-75-40(17-115)166-88(52(64(75)142)107-29(6)124)178-84-68(146)57(135)37(14-112)164-94(84)159-21-44-61(139)82(72(150)92(169-44)175-74-39(16-114)162-86(152)50(62(74)140)105-27(4)122)177-95-85(179-89-53(108-30(7)125)65(143)76(41(18-116)167-89)174-91-70(148)67(145)59(137)46(171-91)23-161-100(97(155)156)9-32(127)48(103-25(2)120)80(181-100)55(133)35(130)12-110)71(149)78(43(20-118)168-95)172-87-51(106-28(5)123)63(141)77(42(19-117)165-87)176-93-73(151)83(60(138)38(15-113)163-93)183-101(98(157)158)10-33(128)49(104-26(3)121)81(182-101)56(134)36(131)13-111/h31-95,109-118,126-152H,8-23H2,1-7H3,(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,123)(H,107,124)(H,108,125)(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
InChIKeyFLJALCGFYSZGGD-MSJWCRFSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860361 (CHEBI:155534) 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)-[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->4)]-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->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G95960ILGlyGen
G95960ILGlyTouCan