EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:155654 - CID 71297665

ChEBI IDCHEBI:155654
ChEBI NameCID 71297665
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC106H172N8O78
Net Charge0
Average Mass2806.520
Monoisotopic Mass2804.97384
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)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@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@@H](O)[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]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@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@@H](O)[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]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,13,12/[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]/1-2-3-4-2-5-6-6-4-2-5-6-6/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_e6-h2_f3-g2_i2-j1_j3-k1_j6-m2_k3-l2
InChIInChI=1S/C106H172N8O78/c1-26(125)107-51-34(133)9-103(99(160)161,187-81(51)59(141)38(137)13-115)169-24-49-67(149)79(182-95-75(157)86(65(147)44(19-121)172-95)191-105(101(164)165)11-36(135)53(109-28(3)127)83(189-105)61(143)40(139)15-117)57(113-32(7)131)92(177-49)185-88-72(154)63(145)42(17-119)174-97(88)168-23-48-69(151)85(74(156)94(179-48)181-78-47(22-124)176-91(56(71(78)153)112-31(6)130)180-77-46(21-123)171-90(159)55(70(77)152)111-30(5)129)184-98-89(73(155)64(146)43(18-120)175-98)186-93-58(114-33(8)132)80(68(150)50(178-93)25-170-104(100(162)163)10-35(134)52(108-27(2)126)82(188-104)60(142)39(138)14-116)183-96-76(158)87(66(148)45(20-122)173-96)192-106(102(166)167)12-37(136)54(110-29(4)128)84(190-106)62(144)41(140)16-118/h34-98,115-124,133-159H,9-25H2,1-8H3,(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,160,161)(H,162,163)(H,164,165)(H,166,167)/t34-,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+,103+,104+,105-,106-/m0/s1
InChIKeyXSCOVMNQWBQLKK-PMEPUQBISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297665 (CHEBI:155654) 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->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-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->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G99306JEGlyGen
G99306JEGlyTouCan