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CHEBI:152659 - CID 91855757

ChEBI IDCHEBI:152659
ChEBI NameCID 91855757
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC105H174N6O76
Net Charge0
Average Mass2736.513
Monoisotopic Mass2734.99351
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@]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]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,15,14/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-4-2-5-6-2-6-7-5/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_e4-g1_h2-i1_i3-j1_i4-k1_k3-l1_l4-m1_m6-n2
InChIInChI=1S/C105H174N6O76/c1-23-51(129)64(142)71(149)95(162-23)159-21-44-80(61(139)46(90(156)165-44)107-27(5)122)176-91-47(108-28(6)123)62(140)79(39(17-118)170-91)178-101-77(155)87(184-103-89(70(148)57(135)36(14-115)169-103)186-94-50(111-31(9)126)84(181-96-72(150)65(143)52(130)24(2)163-96)81(40(18-119)173-94)179-98-74(152)67(145)55(133)34(12-113)166-98)60(138)42(174-101)20-160-102-88(69(147)56(134)35(13-114)168-102)185-93-49(110-30(8)125)85(182-97-73(151)66(144)53(131)25(3)164-97)82(41(19-120)172-93)180-100-76(154)86(59(137)37(15-116)167-100)183-92-48(109-29(7)124)63(141)78(38(16-117)171-92)177-99-75(153)68(146)58(136)43(175-99)22-161-105(104(157)158)10-32(127)45(106-26(4)121)83(187-105)54(132)33(128)11-112/h23-25,32-103,112-120,127-156H,10-22H2,1-9H3,(H,106,121)(H,107,122)(H,108,123)(H,109,124)(H,110,125)(H,111,126)(H,157,158)/t23-,24-,25-,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-,101-,102-,103+,105+/m0/s1
InChIKeyNCKOLAODIVLDFZ-YXMPPPDOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855757 (CHEBI:152659) 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->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->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(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
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