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CHEBI:152792 - CID 91858788

ChEBI IDCHEBI:152792
ChEBI NameCID 91858788
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@]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@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]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]/1-2-3-4-2-5-6-2-5-4-2-5-6-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_k4-l1_l6-m2
InChIInChI=1S/C104H171N7O76/c1-24-54(132)67(145)72(150)94(165-24)161-21-46-83(62(140)49(89(156)166-46)107-27(4)123)178-91-51(109-29(6)125)64(142)81(41(18-119)170-91)182-98-77(155)86(61(139)43(174-98)20-162-99-87(71(149)58(136)37(14-115)168-99)184-92-52(110-30(7)126)65(143)79(39(16-117)171-92)180-96-74(152)69(147)59(137)44(175-96)22-163-103(101(157)158)9-32(128)47(105-25(2)121)84(186-103)55(133)34(130)11-112)183-100-88(76(154)82(42(19-120)173-100)177-90-50(108-28(5)124)63(141)78(38(15-116)169-90)179-95-73(151)68(146)57(135)36(13-114)167-95)185-93-53(111-31(8)127)66(144)80(40(17-118)172-93)181-97-75(153)70(148)60(138)45(176-97)23-164-104(102(159)160)10-33(129)48(106-26(3)122)85(187-104)56(134)35(131)12-113/h24,32-100,112-120,128-156H,9-23H2,1-8H3,(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,109,125)(H,110,126)(H,111,127)(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
InChIKeyYVOWBDZYNDVRFX-IRBFKYMKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858788 (CHEBI:152792) 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)-[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-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
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