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CHEBI:154795 - CID 91859482

ChEBI IDCHEBI:154795
ChEBI NameCID 91859482
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](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](O)[C@H](O[C@H]4O[C@H](CO)[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@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=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(=O)CO)[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=2.0/7,14,13/[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*NCCO/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-5-1-6-4-3-1-4-7/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h4-j1_k2-l1_l4-m1_m3-n2
InChIInChI=1S/C104H171N7O77/c1-24-54(135)66(147)70(151)94(164-24)182-84-53(110-30(7)129)93(172-43(20-122)81(84)181-95-71(152)67(148)57(138)35(12-114)166-95)177-80-42(19-121)173-100(88(73(80)154)185-92-52(109-29(6)128)64(145)77(39(16-118)171-92)178-96-72(153)68(149)59(140)45(175-96)23-163-103(101(158)159)8-31(130)48(111-46(134)21-123)83(186-103)56(137)34(133)11-113)183-85-61(142)44(174-97(74(85)155)179-78-40(17-119)169-90(50(63(78)144)107-27(4)126)176-76-38(15-117)165-89(157)49(62(76)143)106-26(3)125)22-162-99-87(69(150)58(139)36(13-115)168-99)184-91-51(108-28(5)127)65(146)79(41(18-120)170-91)180-98-75(156)86(60(141)37(14-116)167-98)188-104(102(160)161)9-32(131)47(105-25(2)124)82(187-104)55(136)33(132)10-112/h24,31-45,47-100,112-123,130-133,135-157H,8-23H2,1-7H3,(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,134)(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
InChIKeyIWGVWERGEGLWHW-ZYXYVIOUSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91859482 (CHEBI:154795) is a polysaccharide (CHEBI:18154)
Synonyms  Source
3,5-dideoxy-5-glycolamido-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->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->3)-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
NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G87136DVGlyTouCan
G87136DVGlyGen