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CHEBI:153541 - CID 91852941

ChEBI IDCHEBI:153541
ChEBI NameCID 91852941
Stars
Last Modified20 April 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC168H274N12O122
Net Charge0
Average Mass4414.002
Monoisotopic Mass4411.56053
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,22,21/[a2122h-1x_1-5_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]/1-2-3-4-2-5-6-2-5-6-4-2-5-2-5-6-2-5-2-5-6-7/a4-b1_a6-v1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-q1_l4-m1_m4-n1_n4-o1_o6-p2_q4-r1_r4-s1_s4-t1_t6-u2
InChIInChI=1S/C168H274N12O122/c1-39-89(215)108(234)116(242)151(267-39)261-34-76-135(100(226)81(143(251)268-76)173-44(6)199)288-148-86(178-49(11)204)105(231)131(66(28-191)273-148)295-158-124(250)140(296-160-142(298-150-88(180-51(13)206)107(233)129(64(26-189)275-150)292-155-120(246)112(238)97(223)75(283-155)38-266-168(164(258)259)17-55(210)80(172-43(5)198)139(302-168)93(219)59(214)21-184)123(249)134(69(31-194)278-160)287-147-85(177-48(10)203)104(230)128(63(25-188)272-147)291-154-119(245)111(237)96(222)74(282-154)37-265-167(163(256)257)16-54(209)79(171-42(4)197)138(301-167)92(218)58(213)20-183)99(225)71(279-158)33-262-159-141(297-149-87(179-50(12)205)106(232)130(65(27-190)274-149)294-157-122(248)115(241)133(68(30-193)277-157)286-146-84(176-47(9)202)103(229)127(62(24-187)271-146)290-153-118(244)110(236)95(221)73(281-153)36-264-166(162(254)255)15-53(208)78(170-41(3)196)137(300-166)91(217)57(212)19-182)113(239)98(224)70(284-159)32-260-144-82(174-45(7)200)101(227)125(60(22-185)269-144)293-156-121(247)114(240)132(67(29-192)276-156)285-145-83(175-46(8)201)102(228)126(61(23-186)270-145)289-152-117(243)109(235)94(220)72(280-152)35-263-165(161(252)253)14-52(207)77(169-40(2)195)136(299-165)90(216)56(211)18-181/h39,52-160,181-194,207-251H,14-38H2,1-13H3,(H,169,195)(H,170,196)(H,171,197)(H,172,198)(H,173,199)(H,174,200)(H,175,201)(H,176,202)(H,177,203)(H,178,204)(H,179,205)(H,180,206)(H,252,253)(H,254,255)(H,256,257)(H,258,259)/t39-,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-,133-,134+,135+,136+,137+,138+,139+,140-,141-,142-,143?,144+,145-,146-,147-,148-,149-,150-,151+,152-,153-,154-,155-,156-,157-,158-,159-,160+,165+,166+,167+,168+/m0/s1
InChIKeyCFIAIBPLTVMGBI-TYPGRKMZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852941 (CHEBI:153541) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G73663PSGlyTouCan
G73663PSGlyGen