CHEBI:154454 - CID 91849896

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 91849896
ChEBI ID CHEBI:154454
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
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Formula C134H220N10O98
Net Charge 0
Average Mass 3539.206
Monoisotopic Mass 3537.25388
InChI InChI=1S/C134H220N10O98/c1-33(160)135-43(15-145)74(179)98(52(178)20-150)226-116-70(141-39(7)166)86(191)101(58(26-156)218-116)229-121-94(199)109(233-126-114(235-119-73(144-42(10)169)89(194)103(60(28-158)221-119)232-124-97(202)112(83(188)55(23-153)216-124)242-134(130(209)210)14-47(173)68(139-37(5)164)108(239-134)78(183)51(177)19-149)93(198)104(61(29-159)222-126)227-117-71(142-40(8)167)87(192)102(59(27-157)219-117)231-123-96(201)111(82(187)54(22-152)215-123)241-133(129(207)208)13-46(172)67(138-36(4)163)107(238-133)77(182)50(176)18-148)84(189)63(223-121)31-212-125-113(234-118-72(143-41(9)168)88(193)100(57(25-155)220-118)228-120-92(197)90(195)79(184)64(224-120)32-213-131(127(203)204)11-44(170)65(136-34(2)161)105(236-131)75(180)48(174)16-146)91(196)80(185)62(225-125)30-211-115-69(140-38(6)165)85(190)99(56(24-154)217-115)230-122-95(200)110(81(186)53(21-151)214-122)240-132(128(205)206)12-45(171)66(137-35(3)162)106(237-132)76(181)49(175)17-147/h43-126,145-159,170-202H,11-32H2,1-10H3,(H,135,160)(H,136,161)(H,137,162)(H,138,163)(H,139,164)(H,140,165)(H,141,166)(H,142,167)(H,143,168)(H,144,169)(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
InChIKey MCFGPVFYNUETKH-CBSVYJGJSA-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]1O[C@H]5[C@H](O)[C@H](O[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]5O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO[C@]%10(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%10)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]8NC(=O)C)CO)CO[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO)[C@@H]%14O[C@@H]([C@@H](O[C@@H]%15O[C@@H]([C@H](O)[C@H](O[C@]%16(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%16)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%15O)CO)[C@H](O)[C@H]%14NC(=O)C)CO
ChEBI Ontology
Outgoing CID 91849896 (CHEBI:154454) is a polysaccharide (CHEBI:18154)
Synonym Source
WURCS=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_f3-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1_p3-q2 SUBMITTER
Manual Xrefs Databases
G85953MG GlyTouCan
G85953MG GlyGen
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