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CID 91860943

Properties

Image

Occurences in reactions

MNX_ID

MNXM1117957

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₁₆H₁₉₃N₇O₈₃

charge

mass

3012.10966

reference

chebi:154008

InChIKey

XRSUZSIVJINNTO-IDRWDARPSA-N

InChI

InChI=1S/C116H193N7O83/c1-25-56(142)70(156)78(164)107(177-25)175-23-47-91(66(152)49(100(173)180-47)117-28(4)135)195-104-52(120-31(7)138)68(154)89(42(18-131)188-104)198-114-86(172)97(204-116-99(206-105-53(121-32(8)139)69(155)88(41(17-130)189-105)197-111-82(168)74(160)61(147)37(13-126)183-111)85(171)90(43(19-132)191-116)194-103-51(119-30(6)137)67(153)87(40(16-129)187-103)196-110-81(167)73(159)60(146)36(12-125)182-110)94(199-102-50(118-29(5)136)65(151)59(145)35(11-124)181-102)48(193-114)24-176-115-98(205-106-55(123-34(10)141)96(203-109-80(166)72(158)58(144)27(3)179-109)93(45(21-134)190-106)201-113-84(170)76(162)63(149)39(15-128)185-113)77(163)64(150)46(192-115)22-174-101-54(122-33(9)140)95(202-108-79(165)71(157)57(143)26(2)178-108)92(44(20-133)186-101)200-112-83(169)75(161)62(148)38(14-127)184-112/h25-27,35-116,124-134,142-173H,11-24H2,1-10H3,(H,117,135)(H,118,136)(H,119,137)(H,120,138)(H,121,139)(H,122,140)(H,123,141)/t25-,26-,27-,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-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114-,115-,116+/m0/s1

SMILES

CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[C@H]3O[C@H](CO[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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H](O)[C@H](NC(C)=O)[C@H]4O)[C@H](NC(C)=O)[C@H]3O)[C@@H](O)[C@H]2O[C@H]2O[C@H](CO)[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@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:154008 chebi:154008	CID 91860943 Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc WURCS=2.0/5,17,16/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-1-3-1-5-4-1-5-4-5/a4-b1_a6-q1_b4-c1_c3-d1_c4-i1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_j2-k1_j6-n1_k3-l1_k4-m1_n3-o1_n4-p1 beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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-beta-D-gluco-hexopyranose
CHEBI:146738 chebi:146738	CID 71297977 Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc WURCS=2.0/6,17,16/[a2122h-1x_1-5_2NCC/3=O][a2122h-1b_1-5_2NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-2-4-2-6-5-2-6-5-6/a4-b1_a6-q1_b4-c1_c3-d1_c4-i1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_j2-k1_j6-n1_k3-l1_k4-m1_n3-o1_n4-p1 beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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-hexopyranose