CHEBI:150249 - CID 91848871

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CID 91848871
ChEBI ID CHEBI:150249
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C140H230N10O102
Net Charge 0
Average Mass 3685.348
Monoisotopic Mass 3683.31179
InChI InChI=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)235-121-72(147-41(8)172)89(198)104(60(26-161)228-121)237-126-97(206)113(242-132-118(243-123-74(149-43(10)174)91(200)106(62(28-163)230-123)240-129-100(209)116(85(194)57(23-158)225-129)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(234-132)32-220-120-71(146-40(7)171)88(197)103(59(25-160)227-120)238-127-98(207)114(83(192)55(21-156)223-127)249-137(133(211)212)12-46(176)67(142-36(3)167)109(245-137)78(187)50(180)17-152)87(196)66(233-126)33-221-131-119(244-124-75(150-44(11)175)92(201)107(63(29-164)231-124)241-130-101(210)117(86(195)58(24-159)226-130)252-140(136(217)218)15-49(179)70(145-39(6)170)112(248-140)81(190)53(183)20-155)96(205)108(64(30-165)232-131)236-122-73(148-42(9)173)90(199)105(61(27-162)229-122)239-128-99(208)115(84(193)56(22-157)224-128)250-138(134(213)214)13-47(177)68(143-37(4)168)110(246-138)79(188)51(181)18-153/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
InChIKey WDUCBQAKVNWIHQ-ANAZHFAASA-N
SMILES O([C@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1OC[C@H]5O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@@H](O)[C@@H](O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O[C@]%11(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%11)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O[C@]%14(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%14)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO)[C@@H]5O)CO)[C@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@H](O[C@]%17(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%17)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%16O)CO)[C@H](O)[C@H]%15NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91848871 (CHEBI:150249) is a polysaccharide (CHEBI:18154)
Synonym Source
WURCS=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_d6-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_k4-o1_l4-m1_m3-n2_o4-p1_p3-q2 SUBMITTER
Manual Xrefs Databases
G40903ZD GlyGen
G40903ZD GlyTouCan
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