EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150912 - CID 71297870

ChEBI IDCHEBI:150912
ChEBI NameCID 71297870
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H171N7O76
Net Charge0
Average Mass2735.485
Monoisotopic Mass2733.97311
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[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@H](O)[C@H](O[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]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](O)[C@@H]3O[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]2O)[C@@H]1O
WURCSWURCS=2.0/7,14,13/[a2122h-1x_1-5_2*NCC/3=O][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]/1-2-3-4-2-5-6-4-2-5-2-5-6-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_i4-j1_j3-k1_k4-l1_l3-m2
InChIInChI=1S/C104H171N7O76/c1-24-54(134)68(148)71(151)94(163-24)161-23-46-80(63(143)49(89(156)164-46)107-27(4)125)175-90-50(108-28(5)126)64(144)77(41(18-119)170-90)177-96-73(153)84(181-100-88(70(150)58(138)37(14-115)169-100)183-93-53(111-31(8)129)67(147)79(44(21-122)173-93)179-98-75(155)86(61(141)40(17-118)167-98)187-104(102(159)160)10-33(131)48(106-26(3)124)82(185-104)56(136)35(133)12-113)62(142)45(174-96)22-162-99-87(69(149)57(137)36(13-114)168-99)182-92-52(110-30(7)128)66(146)76(43(20-121)172-92)176-95-72(152)83(59(139)38(15-116)165-95)180-91-51(109-29(6)127)65(145)78(42(19-120)171-91)178-97-74(154)85(60(140)39(16-117)166-97)186-103(101(157)158)9-32(130)47(105-25(2)123)81(184-103)55(135)34(132)11-112/h24,32-100,112-122,130-156H,9-23H2,1-8H3,(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)(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
InChIKeyBRESGMYLXGEYBJ-CLFFPGPOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297870 (CHEBI:150912) 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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[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)]-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G44361OHGlyTouCan
G44361OHGlyGen