EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:147815 - CID 91862765

ChEBI IDCHEBI:147815
ChEBI NameCID 91862765
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H170N6O75
Net Charge0
Average Mass2680.449
Monoisotopic Mass2678.96730
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[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]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](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[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](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]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/5,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-3-1-4-1-4-4-5/a4-b1_a6-o1_b4-c1_c3-d1_c6-i1_d2-e1_d6-g1_e4-f1_g4-h1_i2-j1_i4-l1_j4-k1_l4-m1_m3-n1
InChIInChI=1S/C102H170N6O75/c1-22-49(126)63(140)69(146)94(158-22)156-21-42-83(57(134)43(88(154)159-42)103-23(2)120)174-91-46(106-26(5)123)60(137)81(38(17-118)167-91)179-100-76(153)85(181-102-86(182-92-47(107-27(6)124)61(138)78(35(14-115)168-92)176-96-71(148)65(142)51(128)30(9-110)161-96)68(145)54(131)40(172-102)19-155-89-44(104-24(3)121)58(135)77(34(13-114)165-89)175-95-70(147)64(141)50(127)29(8-109)160-95)56(133)41(171-100)20-157-101-87(183-93-48(108-28(7)125)62(139)79(36(15-116)169-93)177-97-72(149)66(143)52(129)31(10-111)162-97)74(151)82(39(18-119)170-101)173-90-45(105-25(4)122)59(136)80(37(16-117)166-90)178-99-75(152)84(55(132)33(12-113)164-99)180-98-73(150)67(144)53(130)32(11-112)163-98/h22,29-102,109-119,126-154H,8-21H2,1-7H3,(H,103,120)(H,104,121)(H,105,122)(H,106,123)(H,107,124)(H,108,125)/t22-,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+/m0/s1
InChIKeyPWSAWHGFOWVNOZ-ZOFBWKLWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91862765 (CHEBI:147815) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->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->6)]-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-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-3)Gal(b1-4)GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G14938IRGlyGen
G14938IRGlyTouCan