| Properties | Image |
|---|
| MNX_ID | MNXM28487 |
 |
| reference | lipidmapsM:LMSP0504AZ02 |
| formula | C102H180N4O51 |
| global charge | 0 |
| mol weight | 2278.539 |
| InChIKey | KRDXWVGIBDRQOV-SVOXRFBRSA-N |
| InChI | InChI=1S/C102H180N4O51/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-62(118)106-52(53(117)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)45-138-96-82(135)79(132)85(60(44-113)148-96)150-99-83(136)89(73(126)59(43-112)145-99)154-94-64(104-50(6)115)87(71(124)57(41-110)143-94)151-100-84(137)90(155-95-65(105-51(7)116)88(72(125)58(42-111)144-95)153-102-92(78(131)69(122)55(39-108)147-102)157-98-81(134)76(129)67(120)48(4)141-98)74(127)61(149-100)46-139-93-63(103-49(5)114)86(70(123)56(40-109)142-93)152-101-91(77(130)68(121)54(38-107)146-101)156-97-80(133)75(128)66(119)47(3)140-97/h34,36,47-48,52-61,63-102,107-113,117,119-137H,8-33,35,37-46H2,1-7H3,(H,103,114)(H,104,115)(H,105,116)(H,106,118)/b36-34+/t47-,48-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,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+/m1/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](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C102H180N4O51/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-62(118)106-52(53(117)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)45-138-96-82(135)79(132)85(60(44-113)148-96)150-99-83(136)89(73(126)59(43-112)145-99)154-94-64(104-50(6)115)87(71(124)57(41-110)143-94)151-100-84(137)90(155-95-65(105-51(7)116)88(72(125)58(42-111)144-95)153-102-92(78(131)69(122)55(39-108)147-102)157-98-81(134)76(129)67(120)48(4)141-98)74(127)61(149-100)46-139-93-63(103-49(5)114)86(70(123)56(40-109)142-93)152-101-91(77(130)68(121)54(38-107)146-101)156-97-80(133)75(128)66(119)47(3)140-97/h34,36,47-48,52-61,63-102,107-113,117,119-137H,8-33,35,37-46H2,1-7H3,(H,103,114)(H,104,115)(H,105,116)(H,106,118)/b36-34+/t47-,48-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:62](=[N:106][C@@H:52]([CH2:45][O:138][C@H:96]1[C@H:82]([OH:135])[C@@H:79]([OH:132])[C@H:85]([O:150][C@H:99]2[C@H:83]([OH:136])[C@@H:89]([O:154][C@H:94]3[C@H:64]([N:104]=[C:50]([CH3:6])[OH:115])[C@@H:87]([O:151][C@H:100]4[C@H:84]([OH:137])[C@@H:90]([O:155][C@H:95]5[C@H:65]([N:105]=[C:51]([CH3:7])[OH:116])[C@@H:88]([O:153][C@H:102]6[C@H:92]([O:157][C@@H:98]7[C@@H:81]([OH:134])[C@H:76]([OH:129])[C@H:67]([OH:120])[C@@H:48]([CH3:4])[O:141]7)[C@@H:78]([OH:131])[C@@H:69]([OH:122])[C@@H:55]([CH2:39][OH:108])[O:147]6)[C@H:72]([OH:125])[C@@H:58]([CH2:42][OH:111])[O:144]5)[C@@H:74]([OH:127])[C@@H:61]([CH2:46][O:139][C@H:93]5[C@H:63]([N:103]=[C:49]([CH3:5])[OH:114])[C@@H:86]([O:152][C@H:101]6[C@H:91]([O:156][C@@H:97]7[C@@H:80]([OH:133])[C@H:75]([OH:128])[C@H:66]([OH:119])[C@@H:47]([CH3:3])[O:140]7)[C@@H:77]([OH:130])[C@@H:68]([OH:121])[C@@H:54]([CH2:38][OH:107])[O:146]6)[C@H:70]([OH:123])[C@@H:56]([CH2:40][OH:109])[O:142]5)[O:149]4)[C@H:71]([OH:124])[C@@H:57]([CH2:41][OH:110])[O:143]3)[C@@H:73]([OH:126])[C@@H:59]([CH2:43][OH:112])[O:145]2)[C@@H:60]([CH2:44][OH:113])[O:148]1)[C@@H:53](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:117])[OH:118] |
|