| Properties | Image |
|---|
| MNX_ID | MNXM1107048 |
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| reference | glycosphingo:IGZKMHMIYIFCSX_RRYDCYQBSA_M |
| formula | C101H176N5O51 |
| global charge | -1 |
| mol weight | 2276.503 |
| InChIKey | IGZKMHMIYIFCSX-RRYDCYQBSA-M |
| InChI | InChI=1S/C101H177N5O51/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(122)106-52(53(119)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-140-95-80(134)78(132)87(62(45-114)148-95)153-97-81(135)89(71(125)57(40-109)143-97)154-93-67(104-50(5)117)75(129)85(60(43-112)146-93)151-98-82(136)90(73(127)63(149-98)47-141-92-66(103-49(4)116)74(128)84(59(42-111)145-92)150-96-79(133)77(131)70(124)56(39-108)142-96)155-94-68(105-51(6)118)76(130)86(61(44-113)147-94)152-99-83(137)91(72(126)58(41-110)144-99)157-101(100(138)139)37-54(120)65(102-48(3)115)88(156-101)69(123)55(121)38-107/h33,35,52-63,65-99,107-114,119-121,123-137H,7-32,34,36-47H2,1-6H3,(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H,106,122)(H,138,139)/p-1/b35-33+/t52-,53+,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,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-,101-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[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]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C101H177N5O51/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(122)106-52(53(119)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-140-95-80(134)78(132)87(62(45-114)148-95)153-97-81(135)89(71(125)57(40-109)143-97)154-93-67(104-50(5)117)75(129)85(60(43-112)146-93)151-98-82(136)90(73(127)63(149-98)47-141-92-66(103-49(4)116)74(128)84(59(42-111)145-92)150-96-79(133)77(131)70(124)56(39-108)142-96)155-94-68(105-51(6)118)76(130)86(61(44-113)147-94)152-99-83(137)91(72(126)58(41-110)144-99)157-101(100(138)139)37-54(120)65(102-48(3)115)88(156-101)69(123)55(121)38-107/h33,35,52-63,65-99,107-114,119-121,123-137H,7-32,34,36-47H2,1-6H3,(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H,106,122)(H,138,139)/b35-33+/t52-,53+,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,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-,101-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:64](=[N:106][C@@H:52]([CH2:46][O:140][C@H:95]1[C@H:80]([OH:134])[C@@H:78]([OH:132])[C@H:87]([O:153][C@H:97]2[C@H:81]([OH:135])[C@@H:89]([O:154][C@H:93]3[C@H:67]([N:104]=[C:50]([CH3:5])[OH:117])[C@@H:75]([OH:129])[C@H:85]([O:151][C@H:98]4[C@H:82]([OH:136])[C@@H:90]([O:155][C@@H:94]5[C@H:68]([N:105]=[C:51]([CH3:6])[OH:118])[C@@H:76]([OH:130])[C@H:86]([O:152][C@H:99]6[C@H:83]([OH:137])[C@@H:91]([O:157][C@:101]7([C:100](=[O:138])[OH:139])[CH2:37][C@H:54]([OH:120])[C@@H:65]([N:102]=[C:48]([CH3:3])[OH:115])[C@H:88]([C@@H:69]([C@@H:55]([CH2:38][OH:107])[OH:121])[OH:123])[O:156]7)[C@@H:72]([OH:126])[C@@H:58]([CH2:41][OH:110])[O:144]6)[C@@H:61]([CH2:44][OH:113])[O:147]5)[C@@H:73]([OH:127])[C@@H:63]([CH2:47][O:141][C@H:92]5[C@H:66]([N:103]=[C:49]([CH3:4])[OH:116])[C@@H:74]([OH:128])[C@H:84]([O:150][C@H:96]6[C@H:79]([OH:133])[C@@H:77]([OH:131])[C@@H:70]([OH:124])[C@@H:56]([CH2:39][OH:108])[O:142]6)[C@@H:59]([CH2:42][OH:111])[O:145]5)[O:149]4)[C@@H:60]([CH2:43][OH:112])[O:146]3)[C@@H:71]([OH:125])[C@@H:57]([CH2:40][OH:109])[O:143]2)[C@@H:62]([CH2:45][OH:114])[O:148]1)[C@@H:53](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:119])[OH:122] |
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