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CHEBI:146629 - CID 71297934

ChEBI IDCHEBI:146629
ChEBI NameCID 71297934
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC126H205N9O93
Net Charge0
Average Mass3333.996
Monoisotopic Mass3332.15886
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)[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(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]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(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)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](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=2.0/6,16,15/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5-6-4-5-6-3-4-5-6-4-5-6/a4-b1_b3-c1_b6-j1_c2-d1_c4-g1_d4-e1_e3-f2_g4-h1_h3-i2_j2-k1_j6-n1_k4-l1_l3-m2_n4-o1_o3-p2
InChIInChI=1S/C126H205N9O93/c1-30(150)127-59-39(159)10-123(119(190)191,221-96(59)68(167)43(163)14-136)225-101-73(172)47(18-140)201-113(86(101)185)214-91-52(23-145)205-108(64(79(91)178)132-35(6)155)198-28-57-72(171)83(182)105(219-110-66(134-37(8)157)81(180)93(54(25-147)207-110)216-115-88(187)103(75(174)49(20-142)203-115)227-125(121(194)195)12-41(161)61(129-32(3)152)98(223-125)70(169)45(165)16-138)117(211-57)199-29-58-77(176)100(85(184)112(210-58)213-90-51(22-144)200-107(189)63(78(90)177)131-34(5)154)218-118-106(220-111-67(135-38(9)158)82(181)94(55(26-148)208-111)217-116-89(188)104(76(175)50(21-143)204-116)228-126(122(196)197)13-42(162)62(130-33(4)153)99(224-126)71(170)46(166)17-139)84(183)95(56(27-149)209-118)212-109-65(133-36(7)156)80(179)92(53(24-146)206-109)215-114-87(186)102(74(173)48(19-141)202-114)226-124(120(192)193)11-40(160)60(128-31(2)151)97(222-124)69(168)44(164)15-137/h39-118,136-149,159-189H,10-29H2,1-9H3,(H,127,150)(H,128,151)(H,129,152)(H,130,153)(H,131,154)(H,132,155)(H,133,156)(H,134,157)(H,135,158)(H,190,191)(H,192,193)(H,194,195)(H,196,197)/t39-,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-,104-,105-,106-,107?,108+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,123-,124-,125-,126-/m0/s1
InChIKeyKHTJHFHJNAVNRQ-ZISRWSRWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297934 (CHEBI:146629) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->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->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[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->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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G02182MJGlyGen
G02182MJGlyTouCan