| Properties | Image |
|---|
| MNX_ID | MNXM25208 |
 |
| reference | lipidmapsM:LMSP0601EN01 |
| formula | C97H170N4O49 |
| global charge | 0 |
| mol weight | 2176.406 |
| InChIKey | SWSVWWFDYBJKAT-BYWCQFAHSA-N |
| InChI | InChI=1S/C97H170N4O49/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-51(112)50(101-60(115)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)44-133-90-75(127)72(124)79(57(41-106)141-90)142-93-76(128)85(67(119)54(38-103)136-93)147-88-62(99-48(6)110)83(145-92-74(126)71(123)65(117)46(4)135-92)81(59(43-108)140-88)144-94-77(129)86(68(120)55(39-104)137-94)148-89-63(100-49(7)111)84(80(58(42-107)139-89)143-91-73(125)70(122)64(116)45(3)134-91)146-95-78(130)87(69(121)56(40-105)138-95)150-97(96(131)132)36-52(113)61(98-47(5)109)82(149-97)66(118)53(114)37-102/h32,34,45-46,50-59,61-95,102-108,112-114,116-130H,8-31,33,35-44H2,1-7H3,(H,98,109)(H,99,110)(H,100,111)(H,101,115)(H,131,132)/b34-32+/t45-,46-,50+,51-,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,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+,97+/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](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C97H170N4O49/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-51(112)50(101-60(115)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)44-133-90-75(127)72(124)79(57(41-106)141-90)142-93-76(128)85(67(119)54(38-103)136-93)147-88-62(99-48(6)110)83(145-92-74(126)71(123)65(117)46(4)135-92)81(59(43-108)140-88)144-94-77(129)86(68(120)55(39-104)137-94)148-89-63(100-49(7)111)84(80(58(42-107)139-89)143-91-73(125)70(122)64(116)45(3)134-91)146-95-78(130)87(69(121)56(40-105)138-95)150-97(96(131)132)36-52(113)61(98-47(5)109)82(149-97)66(118)53(114)37-102/h32,34,45-46,50-59,61-95,102-108,112-114,116-130H,8-31,33,35-44H2,1-7H3,(H,98,109)(H,99,110)(H,100,111)(H,101,115)(H,131,132)/b34-32+/t45-,46-,50+,51-,52+,53-,54-,55-,56-,57-,58-,59-,61-,62-,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+,97+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30]/[CH:32]=[CH:34]/[C@H:51]([C@H:50]([CH2:44][O:133][C@H:90]1[C@H:75]([OH:127])[C@@H:72]([OH:124])[C@H:79]([O:142][C@H:93]2[C@H:76]([OH:128])[C@@H:85]([O:147][C@H:88]3[C@H:62]([N:99]=[C:48]([CH3:6])[OH:110])[C@@H:83]([O:145][C@@H:92]4[C@@H:74]([OH:126])[C@H:71]([OH:123])[C@H:65]([OH:117])[C@@H:46]([CH3:4])[O:135]4)[C@H:81]([O:144][C@H:94]4[C@H:77]([OH:129])[C@@H:86]([O:148][C@H:89]5[C@H:63]([N:100]=[C:49]([CH3:7])[OH:111])[C@@H:84]([O:146][C@H:95]6[C@H:78]([OH:130])[C@@H:87]([O:150][C@:97]7([C:96](=[O:131])[OH:132])[CH2:36][C@H:52]([OH:113])[C@@H:61]([N:98]=[C:47]([CH3:5])[OH:109])[C@H:82]([C@@H:66]([C@@H:53]([CH2:37][OH:102])[OH:114])[OH:118])[O:149]7)[C@@H:69]([OH:121])[C@@H:56]([CH2:40][OH:105])[O:138]6)[C@H:80]([O:143][C@@H:91]6[C@@H:73]([OH:125])[C@H:70]([OH:122])[C@H:64]([OH:116])[C@@H:45]([CH3:3])[O:134]6)[C@@H:58]([CH2:42][OH:107])[O:139]5)[C@@H:68]([OH:120])[C@@H:55]([CH2:39][OH:104])[O:137]4)[C@@H:59]([CH2:43][OH:108])[O:140]3)[C@@H:67]([OH:119])[C@@H:54]([CH2:38][OH:103])[O:136]2)[C@@H:57]([CH2:41][OH:106])[O:141]1)[N:101]=[C:60]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:115])[OH:112] |
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