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CHEBI:154676 - CID 91862762

ChEBI IDCHEBI:154676
ChEBI NameCID 91862762
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC109H178N8O80
Net Charge0
Average Mass2880.599
Monoisotopic Mass2879.01062
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@]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](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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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(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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,14,13/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h6-j2_k2-l1_l4-m1_m6-n2
InChIInChI=1S/C109H178N8O80/c1-26(128)110-51-34(136)9-107(104(165)166,195-87(51)59(142)37(139)12-118)172-23-48-64(147)73(156)77(160)99(184-48)188-82-43(18-124)179-95(56(70(82)153)115-31(6)133)193-91-75(158)63(146)41(16-122)177-102(91)171-22-47-67(150)90(80(163)101(183-47)190-84-45(20-126)178-94(55(69(84)152)114-30(5)132)186-81-42(17-123)175-93(164)54(68(81)151)113-29(4)131)192-103-92(194-96-57(116-32(7)134)71(154)83(44(19-125)180-96)189-100-78(161)74(157)65(148)49(185-100)24-173-108(105(167)168)10-35(137)52(111-27(2)129)88(196-108)60(143)38(140)13-119)79(162)85(46(21-127)181-103)187-97-58(117-33(8)135)86(191-98-76(159)72(155)62(145)40(15-121)176-98)66(149)50(182-97)25-174-109(106(169)170)11-36(138)53(112-28(3)130)89(197-109)61(144)39(141)14-120/h34-103,118-127,136-164H,9-25H2,1-8H3,(H,110,128)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,115,133)(H,116,134)(H,117,135)(H,165,166)(H,167,168)(H,169,170)/t34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,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+,107+,108+,109+/m0/s1
InChIKeyRTCQHARONSRQEE-CISABKSTSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91862762 (CHEBI:154676) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-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->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-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)-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
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
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