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CHEBI:152614 - CID 91848333

Default Structure
ChEBI IDCHEBI:152614
ChEBI NameCID 91848333
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC109H178N8O80
Net Charge0
Average Mass2880.599
Monoisotopic Mass2879.01062
SMILESCC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO[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(C)=O)[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](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)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/6,14,13/[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]/1-2-3-4-2-5-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_f6-g2_h2-i1_h6-l1_i4-j1_j6-k2_l4-m1_m3-n2
InChIInChI=1S/C109H178N8O80/c1-26(128)110-51-34(136)9-107(104(165)166,194-86(51)59(142)37(139)12-118)173-24-49-63(146)73(156)77(160)98(183-49)187-83-45(20-126)181-96(57(72(83)155)116-32(7)134)192-91-76(159)65(148)47(22-171-94-55(114-30(5)132)70(153)82(44(19-125)179-94)189-101-80(163)90(67(150)42(17-123)177-101)197-109(106(169)170)11-36(138)53(112-28(3)130)88(196-109)61(144)39(141)14-120)185-102(91)172-23-48-68(151)89(79(162)100(182-48)188-84-46(21-127)180-95(56(71(84)154)115-31(6)133)186-81-43(18-124)175-93(164)54(69(81)152)113-29(4)131)191-103-92(75(158)62(145)40(15-121)178-103)193-97-58(117-33(8)135)85(66(149)41(16-122)176-97)190-99-78(161)74(157)64(147)50(184-99)25-174-108(105(167)168)10-35(137)52(111-27(2)129)87(195-108)60(143)38(140)13-119/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
InChIKeyPFXCISGOEUZJPZ-OLZZLPHYSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91848333 (CHEBI:152614) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-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)-[5-acetamido-3,5-dideoxy-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->6)]-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G63100CNGlyGen
G63100CNGlyTouCan