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CHEBI:151506 - CID 71297758

Default Structure
ChEBI IDCHEBI:151506
ChEBI NameCID 71297758
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC106H174N8O76
Net Charge0
Average Mass2776.538
Monoisotopic Mass2774.99966
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[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)O[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H](O[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]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]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/8,14,13/[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][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-7-4-2-5-6-7-8/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f3-g2_f4-h1_i2-j1_j4-k1_k3-l2_k4-m1
InChIInChI=1S/C106H174N8O76/c1-25-57(138)71(152)74(155)97(166-25)164-24-48-81(67(148)51(91(159)167-48)109-28(4)128)178-94-54(112-31(7)131)68(149)78(42(18-121)172-94)179-98-75(156)86(184-102-90(73(154)63(144)41(17-120)171-102)186-96-56(114-33(9)133)70(151)80(44(20-123)174-96)181-100-77(158)88(83(46(22-125)176-100)183-93-53(111-30(6)130)66(147)61(142)39(15-118)169-93)190-106(104(162)163)11-35(135)50(108-27(3)127)85(188-106)59(140)37(137)13-116)64(145)47(177-98)23-165-101-89(72(153)62(143)40(16-119)170-101)185-95-55(113-32(8)132)69(150)79(43(19-122)173-95)180-99-76(157)87(82(45(21-124)175-99)182-92-52(110-29(5)129)65(146)60(141)38(14-117)168-92)189-105(103(160)161)10-34(134)49(107-26(2)126)84(187-105)58(139)36(136)12-115/h25,34-102,115-125,134-159H,10-24H2,1-9H3,(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,160,161)(H,162,163)/t25-,34-,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+,105-,106-/m0/s1
InChIKeyBLNDDQWDNFOZEP-BFAGMDPHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297758 (CHEBI:151506) 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->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-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->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G56703XHGlyGen
G56703XHGlyTouCan