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CHEBI:146461 - CID 91858574

ChEBI IDCHEBI:146461
ChEBI NameCID 91858574
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC106H177N5O79
Net Charge0
Average Mass2785.538
Monoisotopic Mass2783.99866
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[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@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,16,15/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-2-3-2-3-2-3-2-4-5-3-2-4-5/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g1_f6-m1_g4-h1_h3-i1_i4-j1_j2-k1_j3-l1_m4-n1_n2-o1_n3-p1
InChIInChI=1S/C106H177N5O79/c1-22-48(130)63(145)69(151)97(161-22)189-89-87(187-99-71(153)65(147)50(132)29(8-112)164-99)55(137)34(13-117)169-105(89)181-80-37(16-120)171-92(43(58(80)140)107-24(3)125)160-21-42-57(139)86(76(158)104(176-42)179-79-40(19-123)173-94(45(61(79)143)109-26(5)127)183-83-52(134)31(10-114)166-101(73(83)155)177-77-38(17-121)172-93(44(59(77)141)108-25(4)126)185-85-54(136)33(12-116)168-103(75(85)157)180-82-36(15-119)163-91(159)68(150)67(82)149)186-96-46(110-27(6)128)60(142)78(39(18-122)174-96)178-102-74(156)84(53(135)32(11-115)167-102)184-95-47(111-28(7)129)62(144)81(41(20-124)175-95)182-106-90(190-98-70(152)64(146)49(131)23(2)162-98)88(56(138)35(14-118)170-106)188-100-72(154)66(148)51(133)30(9-113)165-100/h22-23,29-106,112-124,130-159H,8-21H2,1-7H3,(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)/t22-,23-,29+,30+,31+,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-,104-,105-,106-/m0/s1
InChIKeyADTMSVCHOFDDBD-PVIZTGEQSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858574 (CHEBI:146461) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->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->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G01200BWGlyGen
G01200BWGlyTouCan