CHEBI:147061 - CID 91855138

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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 91855138
ChEBI ID CHEBI:147061
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(183)93(200)97(204)125(224-34)219-29-54(182)104(77(184)45(16-151)141-35(2)164)237-121-72(147-41(8)170)89(196)108(60(26-161)228-121)241-128-101(208)115(244-132-119(246-124-75(150-44(11)173)92(199)107(59(25-160)231-124)240-127-99(206)95(202)83(190)66(235-127)33-223-138(134(213)214)13-47(175)68(143-37(4)166)112(248-138)79(186)51(179)18-153)100(207)110(62(28-163)232-132)238-122-73(148-42(9)171)90(197)109(61(27-162)229-122)243-130-103(210)117(86(193)56(22-157)226-130)252-140(136(217)218)15-49(177)70(145-39(6)168)114(250-140)81(188)53(181)20-155)87(194)64(233-128)31-221-131-118(245-123-74(149-43(10)172)91(198)106(58(24-159)230-123)239-126-98(205)94(201)82(189)65(234-126)32-222-137(133(211)212)12-46(174)67(142-36(3)165)111(247-137)78(185)50(178)17-152)96(203)84(191)63(236-131)30-220-120-71(146-40(7)169)88(195)105(57(23-158)227-120)242-129-102(209)116(85(192)55(21-156)225-129)251-139(135(215)216)14-48(176)69(144-38(5)167)113(249-139)80(187)52(180)19-154/h34,45-132,151-163,174-210H,12-33H2,1-11H3,(H,141,164)(H,142,165)(H,143,166)(H,144,167)(H,145,168)(H,146,169)(H,147,170)(H,148,171)(H,149,172)(H,150,173)(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 JHTAQNBPCUENSF-FFFMVOEZSA-N
SMILES O1[C@H](O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@H]2O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO[C@]8(O[C@H]([C@H](NC(=O)C)[C@@H](O)C8)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]6NC(=O)C)CO)CO[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)[C@@H](O[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O)CO[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](O)[C@H]%12NC(=O)C)CO)[C@@H](O)[C@H](O[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)[C@H]1CO
ChEBI Ontology
Outgoing CID 91855138 (CHEBI:147061) 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_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1_p3-q2 SUBMITTER
Manual Xrefs Databases
G09909FT GlyTouCan
G09909FT GlyGen
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