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alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-{alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM1128765 Image of MNXM1128765
referencechebi:167517
formulaC117H191N9O85
global charge0
mol weight3083.793
InChIKeyBCVGUVVIGAPLJA-QPVQWMGDSA-N
InChIInChI=1S/C117H191N9O85/c1-28(138)118-55-37(147)10-115(112(177)178,209-95(55)64(153)40(150)13-127)184-25-51-68(157)77(166)81(170)107(195-51)202-88-45(18-132)190-103(61(73(88)162)124-34(7)144)200-92-49(22-136)193-106(84(173)80(92)169)183-24-54-94(206-101-59(122-32(5)142)71(160)67(156)43(16-130)188-101)98(86(175)110(198-54)205-91-48(21-135)189-102(60(75(91)164)123-33(6)143)199-87-44(17-131)187-100(176)58(72(87)161)121-31(4)141)207-111-99(208-105-63(126-36(9)146)76(165)90(47(20-134)192-105)204-109-83(172)79(168)70(159)53(197-109)27-186-117(114(181)182)12-39(149)57(120-30(3)140)97(211-117)66(155)42(152)15-129)85(174)93(50(23-137)194-111)201-104-62(125-35(8)145)74(163)89(46(19-133)191-104)203-108-82(171)78(167)69(158)52(196-108)26-185-116(113(179)180)11-38(148)56(119-29(2)139)96(210-116)65(154)41(151)14-128/h37-111,127-137,147-176H,10-27H2,1-9H3,(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,177,178)(H,179,180)(H,181,182)/t37-,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+,115+,116+,117+/m0/s1
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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[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](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=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@]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](O)[C@H](O)[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@]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
MNX internals
InChI (mnx)InChI=1/C117H191N9O85/c1-28(138)118-55-37(147)10-115(112(177)178,209-95(55)64(153)40(150)13-127)184-25-51-68(157)77(166)81(170)107(195-51)202-88-45(18-132)190-103(61(73(88)162)124-34(7)144)200-92-49(22-136)193-106(84(173)80(92)169)183-24-54-94(206-101-59(122-32(5)142)71(160)67(156)43(16-130)188-101)98(86(175)110(198-54)205-91-48(21-135)189-102(60(75(91)164)123-33(6)143)199-87-44(17-131)187-100(176)58(72(87)161)121-31(4)141)207-111-99(208-105-63(126-36(9)146)76(165)90(47(20-134)192-105)204-109-83(172)79(168)70(159)53(197-109)27-186-117(114(181)182)12-39(149)57(120-30(3)140)97(211-117)66(155)42(152)15-129)85(174)93(50(23-137)194-111)201-104-62(125-35(8)145)74(163)89(46(19-133)191-104)203-108-82(171)78(167)69(158)52(196-108)26-185-116(113(179)180)11-38(148)56(119-29(2)139)96(210-116)65(154)41(151)14-128/h37-111,127-137,147-176H,10-27H2,1-9H3,(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,177,178)(H,179,180)(H,181,182)/t37-,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+,115+,116+,117+/m0/s1 Image of MNXM1128765
SMILES (mnx)[CH3:1][C:28](=[N:118][C@@H:55]1[C@@H:37]([OH:147])[CH2:10][C@@:115]([C:112](=[O:177])[OH:178])([O:184][CH2:25][C@@H:51]2[C@H:68]([OH:157])[C@H:77]([OH:166])[C@@H:81]([OH:170])[C@H:107]([O:202][C@@H:88]3[C@@H:45]([CH2:18][OH:132])[O:190][C@@H:103]([O:200][C@@H:92]4[C@@H:49]([CH2:22][OH:136])[O:193][C@H:106]([O:183][CH2:24][C@@H:54]5[C@@H:94]([O:206][C@H:101]6[C@H:59]([N:122]=[C:32]([CH3:5])[OH:142])[C@@H:71]([OH:160])[C@H:67]([OH:156])[C@@H:43]([CH2:16][OH:130])[O:188]6)[C@H:98]([O:207][C@@H:111]6[C@@H:99]([O:208][C@H:105]7[C@H:63]([N:126]=[C:36]([CH3:9])[OH:146])[C@@H:76]([OH:165])[C@H:90]([O:204][C@H:109]8[C@H:83]([OH:172])[C@@H:79]([OH:168])[C@@H:70]([OH:159])[C@@H:53]([CH2:27][O:186][C@:117]9([C:114](=[O:181])[OH:182])[CH2:12][C@H:39]([OH:149])[C@@H:57]([N:120]=[C:30]([CH3:3])[OH:140])[C@H:97]([C@@H:66]([C@@H:42]([CH2:15][OH:129])[OH:152])[OH:155])[O:211]9)[O:197]8)[C@@H:47]([CH2:20][OH:134])[O:192]7)[C@@H:85]([OH:174])[C@H:93]([O:201][C@H:104]7[C@H:62]([N:125]=[C:35]([CH3:8])[OH:145])[C@@H:74]([OH:163])[C@H:89]([O:203][C@H:108]8[C@H:82]([OH:171])[C@@H:78]([OH:167])[C@@H:69]([OH:158])[C@@H:52]([CH2:26][O:185][C@:116]9([C:113](=[O:179])[OH:180])[CH2:11][C@H:38]([OH:148])[C@@H:56]([N:119]=[C:29]([CH3:2])[OH:139])[C@H:96]([C@@H:65]([C@@H:41]([CH2:14][OH:128])[OH:151])[OH:154])[O:210]9)[O:196]8)[C@@H:46]([CH2:19][OH:133])[O:191]7)[C@@H:50]([CH2:23][OH:137])[O:194]6)[C@H:86]([OH:175])[C@H:110]([O:205][C@@H:91]6[C@@H:48]([CH2:21][OH:135])[O:189][C@@H:102]([O:199][C@@H:87]7[C@@H:44]([CH2:17][OH:131])[O:187][C@@H:100]([OH:176])[C@H:58]([N:121]=[C:31]([CH3:4])[OH:141])[C@H:72]7[OH:161])[C@H:60]([N:123]=[C:33]([CH3:6])[OH:143])[C@H:75]6[OH:164])[O:198]5)[C@@H:84]([OH:173])[C@H:80]4[OH:169])[C@H:61]([N:124]=[C:34]([CH3:7])[OH:144])[C@H:73]3[OH:162])[O:195]2)[O:209][C@H:95]1[C@@H:64]([C@@H:40]([CH2:13][OH:127])[OH:150])[OH:153])[OH:138]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167517
chebi:167517
BCVGUVVIGAPLJA-QPVQWMGDSA-N 		alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-{alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-alpha-D-mannopyranosyl-(1->3)]-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
N-acetyl-beta-D-glucosaminyl-(1->4)-[N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)]-alpha-D-mannosyl-(1->3)]-[N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine
Neu5Aca2-6Galb1-4GlcNAcb1-4Mana1-6(GlcNAcb1-4)(Neu5Aca2-6Galb1-4GlcNAcb1-4(Neu5Aca2-6Galb1-4GlcNAcb1-2)Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
Neu5Acalpha2-6Galbeta1-4GlcNAcbeta1-4Manalpha1-6(GlcNAcbeta1-4)(Neu5Acalpha2-6Galbeta1-4GlcNAcbeta1-4(Neu5Acalpha2-6Galbeta1-4GlcNAcbeta1-2)Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta
alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)-[beta-D-GlcNAc-(1->4)]-{alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)-[alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)]-alpha-D-Man-(1->3)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc