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CHEBI:147579 - CID 91849836

ChEBI IDCHEBI:147579
ChEBI NameCID 91849836
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@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@]7(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)[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@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]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]/1-1-2-3-1-4-5-1-4-5-3-1-4/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_l4-m1
InChIInChI=1S/C98H161N7O74/c1-23(120)99-47-59(138)71(36(14-112)156-84(47)150)167-85-48(100-24(2)121)60(139)73(38(16-114)161-85)170-90-68(147)79(58(137)42(166-90)22-155-93-82(65(144)55(134)33(11-109)160-93)174-87-50(102-26(4)123)62(141)72(37(15-113)163-87)169-89-66(145)64(143)54(133)32(10-108)157-89)173-94-83(175-88-51(103-27(5)124)63(142)75(40(18-116)164-88)172-92-70(149)81(57(136)35(13-111)159-92)179-98(96(153)154)7-29(126)46(105-44(130)21-119)78(177-98)53(132)31(128)9-107)67(146)76(41(19-117)165-94)168-86-49(101-25(3)122)61(140)74(39(17-115)162-86)171-91-69(148)80(56(135)34(12-110)158-91)178-97(95(151)152)6-28(125)45(104-43(129)20-118)77(176-97)52(131)30(127)8-106/h28-42,45-94,106-119,125-128,131-150H,6-22H2,1-5H3,(H,99,120)(H,100,121)(H,101,122)(H,102,123)(H,103,124)(H,104,129)(H,105,130)(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
InChIKeyFVNQPEDSGHKUST-SLFHVNFGSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91849836 (CHEBI:147579) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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)-[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->4)]-alpha-D-manno-hexopyranosyl-(1->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(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G17153CQGlyTouCan
G17153CQGlyGen