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CHEBI:153631 - CID 91847435

ChEBI IDCHEBI:153631
ChEBI NameCID 91847435
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H161N7O74
Net Charge0
Average Mass2621.341
Monoisotopic Mass2619.90503
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[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@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[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(=O)CO)[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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,13,12/[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*NCCO/3=O]/1-1-2-3-1-4-5-1-4-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_k4-l1_l3-m2
InChIInChI=1S/C98H161N7O74/c1-23(119)99-47-59(137)72(35(13-111)157-84(47)150)168-85-48(100-24(2)120)61(139)75(38(16-114)161-85)172-91-70(148)80(58(136)41(166-91)21-155-93-82(66(144)55(133)33(11-109)160-93)175-87-50(102-26(4)122)63(141)76(39(17-115)163-87)173-92-71(149)81(57(135)34(12-110)159-92)179-98(96(153)154)7-29(125)46(105-44(129)20-118)79(178-98)53(131)31(127)9-107)174-94-83(69(147)77(40(18-116)165-94)169-86-49(101-25(3)121)60(138)73(36(14-112)162-86)170-89-67(145)64(142)54(132)32(10-108)158-89)176-88-51(103-27(5)123)62(140)74(37(15-113)164-88)171-90-68(146)65(143)56(134)42(167-90)22-156-97(95(151)152)6-28(124)45(104-43(128)19-117)78(177-97)52(130)30(126)8-106/h28-42,45-94,106-118,124-127,130-150H,6-22H2,1-5H3,(H,99,119)(H,100,120)(H,101,121)(H,102,122)(H,103,123)(H,104,128)(H,105,129)(H,151,152)(H,153,154)/t28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,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+,97+,98-/m0/s1
InChIKeyOPVPJOXXASSWNJ-NQZWXAHSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847435 (CHEBI:153631) is a polysaccharide (CHEBI:18154)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
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