| Properties | Image |
|---|
| MNX_ID | MNXM25196 |
 |
| reference | lipidmapsM:LMSP0601GX02 |
| formula | C95H167N5O46 |
| global charge | 0 |
| mol weight | 2115.37 |
| InChIKey | DVGZYKOEZYYPIT-MACQFRJHSA-N |
| InChI | InChI=1S/C95H167N5O46/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(115)100-51(52(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)45-131-90-76(125)75(124)81(59(43-106)137-90)141-92-78(127)85(144-91-77(126)84(70(119)57(41-104)135-91)143-89-65(98-49(5)110)73(122)69(118)56(40-103)134-89)71(120)61(139-92)46-132-87-66(99-50(6)111)74(123)80(58(42-105)136-87)140-93-79(128)86(82(60(44-107)138-93)142-88-64(97-48(4)109)72(121)68(117)55(39-102)133-88)146-95(94(129)130)37-53(113)63(96-47(3)108)83(145-95)67(116)54(114)38-101/h33,35,51-61,63-93,101-107,112-114,116-128H,7-32,34,36-46H2,1-6H3,(H,96,108)(H,97,109)(H,98,110)(H,99,111)(H,100,115)(H,129,130)/b35-33+/t51-,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-,95-/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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[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](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C95H167N5O46/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(115)100-51(52(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)45-131-90-76(125)75(124)81(59(43-106)137-90)141-92-78(127)85(144-91-77(126)84(70(119)57(41-104)135-91)143-89-65(98-49(5)110)73(122)69(118)56(40-103)134-89)71(120)61(139-92)46-132-87-66(99-50(6)111)74(123)80(58(42-105)136-87)140-93-79(128)86(82(60(44-107)138-93)142-88-64(97-48(4)109)72(121)68(117)55(39-102)133-88)146-95(94(129)130)37-53(113)63(96-47(3)108)83(145-95)67(116)54(114)38-101/h33,35,51-61,63-93,101-107,112-114,116-128H,7-32,34,36-46H2,1-6H3,(H,96,108)(H,97,109)(H,98,110)(H,99,111)(H,100,115)(H,129,130)/b35-33+/t51-,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-,95-/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]([CH2:45][O:131][C@H:90]1[C@H:76]([OH:125])[C@@H:75]([OH:124])[C@H:81]([O:141][C@H:92]2[C@H:78]([OH:127])[C@@H:85]([O:144][C@@H:91]3[C@H:77]([OH:126])[C@@H:84]([O:143][C@H:89]4[C@H:65]([N:98]=[C:49]([CH3:5])[OH:110])[C@@H:73]([OH:122])[C@@H:69]([OH:118])[C@@H:56]([CH2:40][OH:103])[O:134]4)[C@@H:70]([OH:119])[C@@H:57]([CH2:41][OH:104])[O:135]3)[C@@H:71]([OH:120])[C@@H:61]([CH2:46][O:132][C@H:87]3[C@H:66]([N:99]=[C:50]([CH3:6])[OH:111])[C@@H:74]([OH:123])[C@H:80]([O:140][C@H:93]4[C@H:79]([OH:128])[C@@H:86]([O:146][C@:95]5([C:94](=[O:129])[OH:130])[CH2:37][C@H:53]([OH:113])[C@@H:63]([N:96]=[C:47]([CH3:3])[OH:108])[C@H:83]([C@@H:67]([C@@H:54]([CH2:38][OH:101])[OH:114])[OH:116])[O:145]5)[C@@H:82]([O:142][C@H:88]5[C@H:64]([N:97]=[C:48]([CH3:4])[OH:109])[C@@H:72]([OH:121])[C@@H:68]([OH:117])[C@@H:55]([CH2:39][OH:102])[O:133]5)[C@@H:60]([CH2:44][OH:107])[O:138]4)[C@@H:58]([CH2:42][OH:105])[O:136]3)[O:139]2)[C@@H:59]([CH2:43][OH:106])[O:137]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:112])[OH:115] |
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