EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146994 - CID 71298045

ChEBI IDCHEBI:146994
ChEBI NameCID 71298045
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC132H220N6O96
Net Charge0
Average Mass3427.158
Monoisotopic Mass3425.25175
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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,20,19/[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][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4-2-5-6-2-5-6-7-4-2-5-6-7-2-5-6-6/a4-b1_a6-t1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f2-g1_h4-i1_i2-j1_i3-k1_l2-m1_l6-q1_m4-n1_n2-o1_n3-p1_q4-r1_r2-s1
InChIInChI=1S/C132H220N6O96/c1-27-59(157)78(176)88(186)119(199-27)197-26-52-103(72(170)53(113(195)204-52)133-32(6)151)220-116-55(135-34(8)153)74(172)97(45(19-146)212-116)221-126-96(194)104(226-130-110(230-118-58(138-37(11)156)76(174)99(46(20-147)215-118)223-129-109(86(184)67(165)41(15-142)208-129)232-121-90(188)80(178)61(159)29(3)201-121)95(193)102(49(23-150)216-130)219-115-56(136-35(9)154)75(173)100(47(21-148)213-115)224-131-111(233-122-91(189)81(179)62(160)30(4)202-122)105(69(167)42(16-143)209-131)227-124-93(191)83(181)64(162)38(12-139)205-124)71(169)51(217-126)25-198-127-107(87(185)68(166)50(218-127)24-196-114-54(134-33(7)152)73(171)98(44(18-145)211-114)222-128-108(85(183)66(164)40(14-141)207-128)231-120-89(187)79(177)60(158)28(2)200-120)229-117-57(137-36(10)155)77(175)101(48(22-149)214-117)225-132-112(234-123-92(190)82(180)63(161)31(5)203-123)106(70(168)43(17-144)210-132)228-125-94(192)84(182)65(163)39(13-140)206-125/h27-31,38-132,139-150,157-195H,12-26H2,1-11H3,(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,155)(H,138,156)/t27-,28-,29-,30-,31-,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-,121-,122-,123-,124+,125+,126-,127-,128-,129-,130+,131-,132-/m0/s1
InChIKeyZPVOFBZKNBFKNZ-KCCDLUJNSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71298045 (CHEBI:146994) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[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->4)]-alpha-D-manno-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->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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(a1-2)Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G06437BUGlyTouCan
G06437BUGlyGen