| Properties | Image |
|---|
| MNX_ID | MNXM23426 |
 |
| reference | lipidmapsM:LMSP0601CM02 |
| formula | C96H168N4O48 |
| global charge | 0 |
| mol weight | 2146.38 |
| InChIKey | DNAFDPGJZARPDW-WCOJJHGJSA-N |
| InChI | InChI=1S/C96H168N4O48/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(115)100-51(52(111)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-133-88-77(127)74(124)79(60(44-106)138-88)140-91-78(128)85(148-96(94(131)132)38-54(113)64(98-49(5)109)83(147-96)71(121)59(43-105)145-95(93(129)130)37-53(112)63(97-48(4)108)82(146-95)67(117)55(114)39-101)80(61(45-107)139-91)141-87-65(99-50(6)110)81(69(119)57(41-103)135-87)142-92-86(144-89-75(125)72(122)66(116)47(3)134-89)84(70(120)58(42-104)137-92)143-90-76(126)73(123)68(118)56(40-102)136-90/h33,35,47,51-61,63-92,101-107,111-114,116-128H,7-32,34,36-46H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,115)(H,129,130)(H,131,132)/b35-33+/t47-,51-,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-,95+,96-/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]3O[C@H](CO)[C@H](O)[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]5O)[C@H]4O[C@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C96H168N4O48/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(115)100-51(52(111)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-133-88-77(127)74(124)79(60(44-106)138-88)140-91-78(128)85(148-96(94(131)132)38-54(113)64(98-49(5)109)83(147-96)71(121)59(43-105)145-95(93(129)130)37-53(112)63(97-48(4)108)82(146-95)67(117)55(114)39-101)80(61(45-107)139-91)141-87-65(99-50(6)110)81(69(119)57(41-103)135-87)142-92-86(144-89-75(125)72(122)66(116)47(3)134-89)84(70(120)58(42-104)137-92)143-90-76(126)73(123)68(118)56(40-102)136-90/h33,35,47,51-61,63-92,101-107,111-114,116-128H,7-32,34,36-46H2,1-6H3,(H,97,108)(H,98,109)(H,99,110)(H,100,115)(H,129,130)(H,131,132)/b35-33+/t47-,51-,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-,95+,96-/m0/s1 |
 |
| 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:62](=[N:100][C@@H:51]([CH2:46][O:133][C@H:88]1[C@H:77]([OH:127])[C@@H:74]([OH:124])[C@H:79]([O:140][C@H:91]2[C@H:78]([OH:128])[C@@H:85]([O:148][C@:96]3([C:94](=[O:131])[OH:132])[CH2:38][C@H:54]([OH:113])[C@@H:64]([N:98]=[C:49]([CH3:5])[OH:109])[C@H:83]([C@@H:71]([C@@H:59]([CH2:43][OH:105])[O:145][C@:95]4([C:93](=[O:129])[OH:130])[CH2:37][C@H:53]([OH:112])[C@@H:63]([N:97]=[C:48]([CH3:4])[OH:108])[C@H:82]([C@@H:67]([C@@H:55]([CH2:39][OH:101])[OH:114])[OH:117])[O:146]4)[OH:121])[O:147]3)[C@@H:80]([O:141][C@H:87]3[C@H:65]([N:99]=[C:50]([CH3:6])[OH:110])[C@@H:81]([O:142][C@H:92]4[C@H:86]([O:144][C@@H:89]5[C@@H:75]([OH:125])[C@H:72]([OH:122])[C@H:66]([OH:116])[C@H:47]([CH3:3])[O:134]5)[C@@H:84]([O:143][C@H:90]5[C@H:76]([OH:126])[C@@H:73]([OH:123])[C@@H:68]([OH:118])[C@@H:56]([CH2:40][OH:102])[O:136]5)[C@@H:70]([OH:120])[C@@H:58]([CH2:42][OH:104])[O:137]4)[C@@H:69]([OH:119])[C@@H:57]([CH2:41][OH:103])[O:135]3)[C@@H:61]([CH2:45][OH:107])[O:139]2)[C@@H:60]([CH2:44][OH:106])[O:138]1)[C@@H:52](/[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:111])[OH:115] |
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