N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Properties Image MNX_ID MNXM1113123 reference chebi:147226 formula C114H190N6O82 global charge 0 mol weight 2956.734 InChIKey HWQHUDCPVJBOTE-PEJWPJJSSA-N InChI InChI=1S/C114H190N6O82/c1-24-53(138)65(150)74(159)104(172-24)196-91-49(117-30(7)134)99(181-41(18-128)87(91)192-108-78(163)69(154)57(142)34(11-121)177-108)170-22-45-61(146)73(158)96(201-102-51(119-32(9)136)93(198-106-76(161)67(152)55(140)26(3)174-106)89(43(20-130)184-102)194-110-80(165)71(156)59(144)36(13-123)179-110)113(188-45)171-23-46-62(147)95(83(168)112(187-46)191-85-39(16-126)182-100(48(64(85)149)116-29(6)133)189-84-38(15-125)176-98(169)47(63(84)148)115-28(5)132)200-114-97(202-103-52(120-33(10)137)94(199-107-77(162)68(153)56(141)27(4)175-107)90(44(21-131)185-103)195-111-81(166)72(157)60(145)37(14-124)180-111)82(167)86(40(17-127)186-114)190-101-50(118-31(8)135)92(197-105-75(160)66(151)54(139)25(2)173-105)88(42(19-129)183-101)193-109-79(164)70(155)58(143)35(12-122)178-109/h24-27,34-114,121-131,138-169H,11-23H2,1-10H3,(H,115,132)(H,116,133)(H,117,134)(H,118,135)(H,119,136)(H,120,137)/t24-,25-,26-,27-,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-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[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)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[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]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)[C@@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C114H190N6O82/c1-24-53(138)65(150)74(159)104(172-24)196-91-49(117-30(7)134)99(181-41(18-128)87(91)192-108-78(163)69(154)57(142)34(11-121)177-108)170-22-45-61(146)73(158)96(201-102-51(119-32(9)136)93(198-106-76(161)67(152)55(140)26(3)174-106)89(43(20-130)184-102)194-110-80(165)71(156)59(144)36(13-123)179-110)113(188-45)171-23-46-62(147)95(83(168)112(187-46)191-85-39(16-126)182-100(48(64(85)149)116-29(6)133)189-84-38(15-125)176-98(169)47(63(84)148)115-28(5)132)200-114-97(202-103-52(120-33(10)137)94(199-107-77(162)68(153)56(141)27(4)175-107)90(44(21-131)185-103)195-111-81(166)72(157)60(145)37(14-124)180-111)82(167)86(40(17-127)186-114)190-101-50(118-31(8)135)92(197-105-75(160)66(151)54(139)25(2)173-105)88(42(19-129)183-101)193-109-79(164)70(155)58(143)35(12-122)178-109/h24-27,34-114,121-131,138-169H,11-23H2,1-10H3,(H,115,132)(H,116,133)(H,117,134)(H,118,135)(H,119,136)(H,120,137)/t24-,25-,26-,27-,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-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+/m0/s1 SMILES (mnx) [CH3:1][C@H:24]1[C@@H:53]([OH:138])[C@@H:65]([OH:150])[C@H:74]([OH:159])[C@H:104]([O:196][C@@H:91]2[C@@H:49]([N:117]=[C:30]([CH3:7])[OH:134])[C@H:99]([O:170][CH2:22][C@@H:45]3[C@@H:61]([OH:146])[C@H:73]([OH:158])[C@H:96]([O:201][C@H:102]4[C@H:51]([N:119]=[C:32]([CH3:9])[OH:136])[C@@H:93]([O:198][C@H:106]5[C@@H:76]([OH:161])[C@H:67]([OH:152])[C@H:55]([OH:140])[C@H:26]([CH3:3])[O:174]5)[C@H:89]([O:194][C@H:110]5[C@H:80]([OH:165])[C@@H:71]([OH:156])[C@@H:59]([OH:144])[C@@H:36]([CH2:13][OH:123])[O:179]5)[C@@H:43]([CH2:20][OH:130])[O:184]4)[C@@H:113]([O:171][CH2:23][C@@H:46]4[C@@H:62]([OH:147])[C@H:95]([O:200][C@@H:114]5[C@@H:97]([O:202][C@H:103]6[C@H:52]([N:120]=[C:33]([CH3:10])[OH:137])[C@@H:94]([O:199][C@H:107]7[C@@H:77]([OH:162])[C@H:68]([OH:153])[C@H:56]([OH:141])[C@H:27]([CH3:4])[O:175]7)[C@H:90]([O:195][C@H:111]7[C@H:81]([OH:166])[C@@H:72]([OH:157])[C@@H:60]([OH:145])[C@@H:37]([CH2:14][OH:124])[O:180]7)[C@@H:44]([CH2:21][OH:131])[O:185]6)[C@@H:82]([OH:167])[C@H:86]([O:190][C@H:101]6[C@H:50]([N:118]=[C:31]([CH3:8])[OH:135])[C@@H:92]([O:197][C@H:105]7[C@@H:75]([OH:160])[C@H:66]([OH:151])[C@H:54]([OH:139])[C@H:25]([CH3:2])[O:173]7)[C@H:88]([O:193][C@H:109]7[C@H:79]([OH:164])[C@@H:70]([OH:155])[C@@H:58]([OH:143])[C@@H:35]([CH2:12][OH:122])[O:178]7)[C@@H:42]([CH2:19][OH:129])[O:183]6)[C@@H:40]([CH2:17][OH:127])[O:186]5)[C@H:83]([OH:168])[C@H:112]([O:191][C@@H:85]5[C@@H:39]([CH2:16][OH:126])[O:182][C@@H:100]([O:189][C@@H:84]6[C@@H:38]([CH2:15][OH:125])[O:176][CH:98]([OH:169])[C@H:47]([N:115]=[C:28]([CH3:5])[OH:132])[C@H:63]6[OH:148])[C@H:48]([N:116]=[C:29]([CH3:6])[OH:133])[C@H:64]5[OH:149])[O:187]4)[O:188]3)[O:181][C@H:41]([CH2:18][OH:128])[C@H:87]2[O:192][C@H:108]2[C@H:78]([OH:163])[C@@H:69]([OH:154])[C@@H:57]([OH:142])[C@@H:34]([CH2:11][OH:121])[O:177]2)[O:172]1

Parent-child relations graph

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