EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:153462 - CID 91855008

ChEBI IDCHEBI:153462
ChEBI NameCID 91855008
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC134H220N10O98
Net Charge0
Average Mass3539.206
Monoisotopic Mass3537.25388
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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@]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](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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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@]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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,17,16/[h2122h_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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m3-n2_o4-p1_p6-q2
InChIInChI=1S/C134H220N10O98/c1-33(158)135-43(15-145)74(177)100(52(176)20-150)228-116-70(141-39(7)164)86(189)104(57(25-155)218-116)233-123-98(201)111(235-126-114(237-119-73(144-42(10)167)88(191)103(56(24-154)221-119)232-122-96(199)92(195)81(184)64(226-122)32-215-133(129(207)208)13-46(170)67(138-36(4)161)109(240-133)77(180)50(174)18-148)97(200)106(59(27-157)222-126)229-117-71(142-40(8)165)87(190)102(55(23-153)219-117)231-121-95(198)91(194)80(183)63(225-121)31-214-132(128(205)206)12-45(169)66(137-35(3)160)108(239-132)76(179)49(173)17-147)84(187)61(223-123)29-212-125-113(236-118-72(143-41(9)166)89(192)105(58(26-156)220-118)234-124-99(202)112(83(186)53(21-151)216-124)242-134(130(209)210)14-47(171)68(139-37(5)162)110(241-134)78(181)51(175)19-149)93(196)82(185)60(227-125)28-211-115-69(140-38(6)163)85(188)101(54(22-152)217-115)230-120-94(197)90(193)79(182)62(224-120)30-213-131(127(203)204)11-44(168)65(136-34(2)159)107(238-131)75(178)48(172)16-146/h43-126,145-157,168-202H,11-32H2,1-10H3,(H,135,158)(H,136,159)(H,137,160)(H,138,161)(H,139,162)(H,140,163)(H,141,164)(H,142,165)(H,143,166)(H,144,167)(H,203,204)(H,205,206)(H,207,208)(H,209,210)/t43-,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+,131+,132+,133+,134-/m0/s1
InChIKeyIPAOAUQDMMCGID-JPHJGLNYSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855008 (CHEBI:153462) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G73161ZQGlyTouCan
G73161ZQGlyGen