EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146594 - CID 91858155

ChEBI IDCHEBI:146594
ChEBI NameCID 91858155
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC120H200N6O86
Net Charge0
Average Mass3102.876
Monoisotopic Mass3101.14611
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@@H](O[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]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(O)O[C@@H]2CO[C@H]2O[C@H](CO[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]2O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
WURCSWURCS=2.0/6,18,17/[a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1a_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-5-3-4-5-6-6-4-2-3-4-5-3-4-5/a3-b1_a4-i1_a6-l1_b2-c1_b4-f1_c3-d1_c4-e1_f3-g1_f4-h1_i4-j1_j6-k1_l2-m1_l6-p1_m3-n1_m4-o1_p3-q1_p4-r1
InChIInChI=1S/C120H200N6O86/c1-25-55(143)68(156)78(166)110(181-25)179-23-46-64(152)66(154)49(121-30(6)137)105(197-46)199-89-40(16-131)192-106(50(67(89)155)122-31(7)138)201-95-48(24-180-119-101(211-108-53(125-34(10)141)98(208-113-81(169)71(159)58(146)28(4)184-113)93(44(20-135)194-108)204-117-85(173)75(163)62(150)38(14-129)189-117)77(165)65(153)47(198-119)22-178-104-51(123-32(8)139)96(206-111-79(167)69(157)56(144)26(2)182-111)91(42(18-133)191-104)202-115-83(171)73(161)60(148)36(12-127)187-115)186-103(177)88(176)100(95)210-120-102(212-109-54(126-35(11)142)99(209-114-82(170)72(160)59(147)29(5)185-114)94(45(21-136)195-109)205-118-86(174)76(164)63(151)39(15-130)190-118)87(175)90(41(17-132)196-120)200-107-52(124-33(9)140)97(207-112-80(168)70(158)57(145)27(3)183-112)92(43(19-134)193-107)203-116-84(172)74(162)61(149)37(13-128)188-116/h25-29,36-120,127-136,143-177H,12-24H2,1-11H3,(H,121,137)(H,122,138)(H,123,139)(H,124,140)(H,125,141)(H,126,142)/t25-,26-,27-,28-,29-,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-,107+,108+,109+,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+/m0/s1
InChIKeyYSICBHFHDGABTJ-QAMLWALZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858155 (CHEBI:146594) 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-alpha-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)][6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-D-manno-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(a1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(a1-4)]Man(a1-3)[Fuc(a1-6)GlcNAc(b1-4)GlcNAc(b1-4)][Fuc(a1-3)[Gal(b1-4)]GlcNAc(a1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(a1-6)]Man(a1-6)]ManSUBMITTER
Manual XrefsDatabases
G01968NVGlyGen
G01968NVGlyTouCan