CHEBI:146125 - CID 91850737

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 91850737
ChEBI ID CHEBI:146125
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(181)93(198)99(204)125(226-34)219-27-54(180)106(77(182)45(16-151)141-35(2)162)239-121-72(147-41(8)168)89(194)111(59(25-160)228-121)245-130-105(210)117(246-132-119(248-124-75(150-44(11)171)92(197)110(58(24-159)231-124)244-129-103(208)97(202)85(190)66(237-129)33-225-140(136(217)218)15-49(175)70(145-39(6)166)116(252-140)81(186)53(179)20-155)104(209)112(60(26-161)232-132)240-122-73(148-42(9)169)90(195)108(56(22-157)229-122)242-127-101(206)95(200)83(188)64(235-127)31-223-138(134(213)214)13-47(173)68(143-37(4)164)114(250-138)79(184)51(177)18-153)87(192)62(233-130)29-221-131-118(247-123-74(149-43(10)170)91(196)109(57(23-158)230-123)243-128-102(207)96(201)84(189)65(236-128)32-224-139(135(215)216)14-48(174)69(144-38(5)165)115(251-139)80(185)52(178)19-154)98(203)86(191)61(238-131)28-220-120-71(146-40(7)167)88(193)107(55(21-156)227-120)241-126-100(205)94(199)82(187)63(234-126)30-222-137(133(211)212)12-46(172)67(142-36(3)163)113(249-137)78(183)50(176)17-152/h34,45-132,151-161,172-210H,12-33H2,1-11H3,(H,141,162)(H,142,163)(H,143,164)(H,144,165)(H,145,166)(H,146,167)(H,147,168)(H,148,169)(H,149,170)(H,150,171)(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 WCUGJZQIVQWSMO-QWXSYGPPSA-N
SMILES O([C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO[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](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]5NC(=O)C)CO)CO)[C@H]8[C@H](O)[C@H](O[C@@H](O[C@H]9[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]9CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]%10O[C@H]([C@@H](O)[C@@H](O)[C@@H]%10O)C)[C@H]8O)CO[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O[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)CO[C@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@H](O)[C@H]%16O)CO[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](O)[C@H]%15NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91850737 (CHEBI:146125) 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_i6-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1_p6-q2 SUBMITTER
Manual Xrefs Databases
G00910WD GlyTouCan
G00910WD GlyGen
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