CHEBI:152859 - CID 91862787

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 91862787
ChEBI ID CHEBI:152859
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(159)135-43(15-145)74(178)99(52(177)20-150)227-116-70(141-39(7)165)86(190)102(57(25-155)218-116)231-122-96(200)110(234-126-114(236-119-73(144-42(10)168)89(193)104(59(27-157)221-119)233-124-98(202)112(83(187)54(22-152)216-124)242-134(130(209)210)14-47(172)68(139-37(5)163)109(240-134)78(182)51(176)19-149)95(199)105(60(28-158)222-126)228-117-71(142-40(8)166)87(191)101(56(24-154)219-117)230-121-94(198)91(195)80(184)64(225-121)32-214-132(128(205)206)12-45(170)66(137-35(3)161)107(238-132)76(180)49(174)17-147)84(188)62(223-122)30-212-125-113(235-118-72(143-41(9)167)88(192)103(58(26-156)220-118)232-123-97(201)111(82(186)53(21-151)215-123)241-133(129(207)208)13-46(171)67(138-36(4)162)108(239-133)77(181)50(175)18-148)92(196)81(185)61(226-125)29-211-115-69(140-38(6)164)85(189)100(55(23-153)217-115)229-120-93(197)90(194)79(183)63(224-120)31-213-131(127(203)204)11-44(169)65(136-34(2)160)106(237-131)75(179)48(173)16-146/h43-126,145-158,169-202H,11-32H2,1-10H3,(H,135,159)(H,136,160)(H,137,161)(H,138,162)(H,139,163)(H,140,164)(H,141,165)(H,142,166)(H,143,167)(H,144,168)(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 DYIADSYJRRVVRN-LVRVIRQYSA-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@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]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@]%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]9O)CO)[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@H]%12O)CO[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](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 91862787 (CHEBI:152859) 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_i6-j2_k2-l1_k6-o1_l4-m1_m3-n2_o4-p1_p6-q2 SUBMITTER
Manual Xrefs Databases
G66846ML GlyTouCan
G66846ML GlyGen
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