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CHEBI:148540 - CID 71297893

ChEBI IDCHEBI:148540
ChEBI NameCID 71297893
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC100H167N5O72
Net Charge0
Average Mass2591.399
Monoisotopic Mass2589.95600
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]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]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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[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=2.0/6,15,14/[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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-5/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d6-h1_e3-f1_e4-g1_h3-i1_h4-j1_k2-l1_l3-m1_l4-n1
InChIInChI=1S/C100H167N5O72/c1-21-46(119)58(131)67(140)91(152-21)150-20-40-76(56(129)41(86(148)156-40)101-25(5)114)167-88-42(102-26(6)115)57(130)75(34(14-110)162-88)168-98-74(147)83(55(128)39(165-98)19-151-99-84(65(138)53(126)33(13-109)160-99)176-89-44(104-28(8)117)81(173-93-69(142)60(133)48(121)23(3)154-93)78(36(16-112)163-89)170-96-72(145)63(136)51(124)31(11-107)158-96)175-100-85(177-90-45(105-29(9)118)82(174-94-70(143)61(134)49(122)24(4)155-94)79(37(17-113)164-90)171-97-73(146)64(137)52(125)32(12-108)159-97)66(139)54(127)38(166-100)18-149-87-43(103-27(7)116)80(172-92-68(141)59(132)47(120)22(2)153-92)77(35(15-111)161-87)169-95-71(144)62(135)50(123)30(10-106)157-95/h21-24,30-100,106-113,119-148H,10-20H2,1-9H3,(H,101,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)/t21-,22-,23-,24-,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+/m0/s1
InChIKeyXYIODTKWOXGQHT-IIDGGHJWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297893 (CHEBI:148540) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[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->6)]-alpha-D-manno-hexopyranosyl-(1->3)-[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->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
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G25853OYGlyTouCan
G25853OYGlyGen