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CHEBI:147257 - CID 91855915

ChEBI IDCHEBI:147257
ChEBI NameCID 91855915
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC140H230N10O102
Net Charge0
Average Mass3685.348
Monoisotopic Mass3683.31179
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[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](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[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]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](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]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](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[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]5O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[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]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,18,17/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-6-7/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e3-f1_f3-g2_h3-i1_i3-j2_k2-l1_k6-o1_l3-m1_m3-n2_o3-p1_p3-q2
InChIInChI=1S/C140H230N10O102/c1-34-76(185)93(202)95(204)125(222-34)219-31-54(184)102(77(186)45(16-151)141-35(2)166)235-121-71(146-40(7)171)92(201)103(63(29-164)231-121)237-126-97(206)113(242-132-119(244-124-75(150-44(11)175)108(86(195)58(24-159)226-124)241-130-101(210)117(90(199)62(28-163)230-130)252-140(136(217)218)15-49(179)70(145-39(6)170)112(248-140)81(190)53(183)20-155)96(205)104(64(30-165)232-132)236-122-73(148-42(9)173)106(84(193)56(22-157)224-122)239-128-99(208)115(88(197)60(26-161)228-128)250-138(134(213)214)13-47(177)68(143-37(4)168)110(246-138)79(188)51(181)18-153)91(200)66(233-126)33-221-131-118(243-123-74(149-43(10)174)107(85(194)57(23-158)225-123)240-129-100(209)116(89(198)61(27-162)229-129)251-139(135(215)216)14-48(178)69(144-38(5)169)111(247-139)80(189)52(182)19-154)94(203)82(191)65(234-131)32-220-120-72(147-41(8)172)105(83(192)55(21-156)223-120)238-127-98(207)114(87(196)59(25-160)227-127)249-137(133(211)212)12-46(176)67(142-36(3)167)109(245-137)78(187)50(180)17-152/h34,45-132,151-165,176-210H,12-33H2,1-11H3,(H,141,166)(H,142,167)(H,143,168)(H,144,169)(H,145,170)(H,146,171)(H,147,172)(H,148,173)(H,149,174)(H,150,175)(H,211,212)(H,213,214)(H,215,216)(H,217,218)/t34-,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+,137-,138-,139-,140-/m0/s1
InChIKeyXHYNRADLNAPEAJ-KTAKGFGNSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855915 (CHEBI:147257) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G08005PGGlyGen
G08005PGGlyTouCan