| Properties | Image |
|---|
| MNX_ID | MNXM25089 |
 |
| reference | lipidmapsM:LMSP0505BC02 |
| formula | C102H180N4O51 |
| global charge | 0 |
| mol weight | 2278.539 |
| InChIKey | UVGIFPBIHGPTNQ-LAKCBQIYSA-N |
| InChI | InChI=1S/C102H180N4O51/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-62(119)106-52(53(118)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)46-138-96-80(134)76(130)85(59(43-112)148-96)150-101-81(135)90(69(123)55(39-108)143-101)155-93-63(103-49(5)115)72(126)84(58(42-111)145-93)149-100-82(136)91(70(124)56(40-109)142-100)156-95-65(105-51(7)117)89(154-98-78(132)74(128)67(121)48(4)140-98)87(61(45-114)147-95)152-102-83(137)92(71(125)57(41-110)144-102)157-94-64(104-50(6)116)88(153-97-77(131)73(127)66(120)47(3)139-97)86(60(44-113)146-94)151-99-79(133)75(129)68(122)54(38-107)141-99/h34,36,47-48,52-61,63-102,107-114,118,120-137H,8-33,35,37-46H2,1-7H3,(H,103,115)(H,104,116)(H,105,117)(H,106,119)/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]4O[C@H](CO)[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@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O[C@H]8O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O[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](O)[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(119)106-52(53(118)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)46-138-96-80(134)76(130)85(59(43-112)148-96)150-101-81(135)90(69(123)55(39-108)143-101)155-93-63(103-49(5)115)72(126)84(58(42-111)145-93)149-100-82(136)91(70(124)56(40-109)142-100)156-95-65(105-51(7)117)89(154-98-78(132)74(128)67(121)48(4)140-98)87(61(45-114)147-95)152-102-83(137)92(71(125)57(41-110)144-102)157-94-64(104-50(6)116)88(153-97-77(131)73(127)66(120)47(3)139-97)86(60(44-113)146-94)151-99-79(133)75(129)68(122)54(38-107)141-99/h34,36,47-48,52-61,63-102,107-114,118,120-137H,8-33,35,37-46H2,1-7H3,(H,103,115)(H,104,116)(H,105,117)(H,106,119)/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]([CH2:46][O:138][C@H:96]1[C@H:80]([OH:134])[C@@H:76]([OH:130])[C@H:85]([O:150][C@H:101]2[C@H:81]([OH:135])[C@@H:90]([O:155][C@H:93]3[C@H:63]([N:103]=[C:49]([CH3:5])[OH:115])[C@@H:72]([OH:126])[C@H:84]([O:149][C@H:100]4[C@H:82]([OH:136])[C@@H:91]([O:156][C@H:95]5[C@H:65]([N:105]=[C:51]([CH3:7])[OH:117])[C@@H:89]([O:154][C@@H:98]6[C@@H:78]([OH:132])[C@H:74]([OH:128])[C@H:67]([OH:121])[C@@H:48]([CH3:4])[O:140]6)[C@H:87]([O:152][C@H:102]6[C@H:83]([OH:137])[C@@H:92]([O:157][C@H:94]7[C@H:64]([N:104]=[C:50]([CH3:6])[OH:116])[C@@H:88]([O:153][C@@H:97]8[C@@H:77]([OH:131])[C@H:73]([OH:127])[C@H:66]([OH:120])[C@@H:47]([CH3:3])[O:139]8)[C@H:86]([O:151][C@H:99]8[C@H:79]([OH:133])[C@@H:75]([OH:129])[C@@H:68]([OH:122])[C@@H:54]([CH2:38][OH:107])[O:141]8)[C@@H:60]([CH2:44][OH:113])[O:146]7)[C@@H:71]([OH:125])[C@@H:57]([CH2:41][OH:110])[O:144]6)[C@@H:61]([CH2:45][OH:114])[O:147]5)[C@@H:70]([OH:124])[C@@H:56]([CH2:40][OH:109])[O:142]4)[C@@H:58]([CH2:42][OH:111])[O:145]3)[C@@H:69]([OH:123])[C@@H:55]([CH2:39][OH:108])[O:143]2)[C@@H:59]([CH2:43][OH:112])[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:118])[OH:119] |
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