| Properties | Image |
|---|
| MNX_ID | MNXM27575 |
 |
| reference | lipidmapsM:LMSP0505AJ03 |
| formula | C98H174N4O46 |
| global charge | 0 |
| mol weight | 2144.452 |
| InChIKey | HAQHHNRMBDSIKD-ZEGZXTFGSA-N |
| InChI | InChI=1S/C98H174N4O46/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-62(114)102-53(54(113)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)47-131-93-80(129)77(126)83(61(46-109)140-93)141-96-81(130)85(70(119)57(42-105)136-96)144-91-64(100-51(6)111)74(123)82(60(45-108)139-91)142-97-88(147-94-78(127)75(124)66(115)48(3)132-94)87(72(121)58(43-106)137-97)146-92-65(101-52(7)112)84(69(118)56(41-104)135-92)143-98-89(148-95-79(128)76(125)67(116)49(4)133-95)86(71(120)59(44-107)138-98)145-90-63(99-50(5)110)73(122)68(117)55(40-103)134-90/h36,38,48-49,53-61,63-98,103-109,113,115-130H,8-35,37,39-47H2,1-7H3,(H,99,110)(H,100,111)(H,101,112)(H,102,114)/b38-36+/t48-,49-,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+/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](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=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]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C98H174N4O46/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-62(114)102-53(54(113)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2)47-131-93-80(129)77(126)83(61(46-109)140-93)141-96-81(130)85(70(119)57(42-105)136-96)144-91-64(100-51(6)111)74(123)82(60(45-108)139-91)142-97-88(147-94-78(127)75(124)66(115)48(3)132-94)87(72(121)58(43-106)137-97)146-92-65(101-52(7)112)84(69(118)56(41-104)135-92)143-98-89(148-95-79(128)76(125)67(116)49(4)133-95)86(71(120)59(44-107)138-98)145-90-63(99-50(5)110)73(122)68(117)55(40-103)134-90/h36,38,48-49,53-61,63-98,103-109,113,115-130H,8-35,37,39-47H2,1-7H3,(H,99,110)(H,100,111)(H,101,112)(H,102,114)/b38-36+/t48-,49-,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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:62](=[N:102][C@@H:53]([CH2:47][O:131][C@H:93]1[C@H:80]([OH:129])[C@@H:77]([OH:126])[C@H:83]([O:141][C@H:96]2[C@H:81]([OH:130])[C@@H:85]([O:144][C@H:91]3[C@H:64]([N:100]=[C:51]([CH3:6])[OH:111])[C@@H:74]([OH:123])[C@H:82]([O:142][C@H:97]4[C@H:88]([O:147][C@@H:94]5[C@@H:78]([OH:127])[C@H:75]([OH:124])[C@H:66]([OH:115])[C@@H:48]([CH3:3])[O:132]5)[C@@H:87]([O:146][C@@H:92]5[C@H:65]([N:101]=[C:52]([CH3:7])[OH:112])[C@@H:84]([O:143][C@H:98]6[C@H:89]([O:148][C@@H:95]7[C@@H:79]([OH:128])[C@H:76]([OH:125])[C@H:67]([OH:116])[C@@H:49]([CH3:4])[O:133]7)[C@@H:86]([O:145][C@@H:90]7[C@H:63]([N:99]=[C:50]([CH3:5])[OH:110])[C@@H:73]([OH:122])[C@@H:68]([OH:117])[C@@H:55]([CH2:40][OH:103])[O:134]7)[C@@H:71]([OH:120])[C@@H:59]([CH2:44][OH:107])[O:138]6)[C@@H:69]([OH:118])[C@@H:56]([CH2:41][OH:104])[O:135]5)[C@@H:72]([OH:121])[C@@H:58]([CH2:43][OH:106])[O:137]4)[C@@H:60]([CH2:45][OH:108])[O:139]3)[C@@H:70]([OH:119])[C@@H:57]([CH2:42][OH:105])[O:136]2)[C@@H:61]([CH2:46][OH:109])[O:140]1)[C@@H:54](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:113])[OH:114] |
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