| Properties | Image |
|---|
| MNX_ID | MNXM25738 |
 |
| reference | lipidmapsM:LMSP0504BF04 |
| formula | C102H181N5O47 |
| global charge | 0 |
| mol weight | 2229.558 |
| InChIKey | DPDUTDDGKUPIKJ-VSRPCSSWSA-N |
| InChI | InChI=1S/C102H181N5O47/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-66(120)107-56(57(119)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)49-137-98-84(134)82(132)87(64(48-114)146-98)148-100-85(135)90(76(126)62(46-112)144-100)151-96-69(105-54(6)117)88(74(124)60(44-110)142-96)149-101-86(136)91(78(128)65(147-101)50-138-94-67(103-52(4)115)79(129)72(122)58(42-108)140-94)152-97-70(106-55(7)118)89(75(125)61(45-111)143-97)150-102-93(154-99-83(133)81(131)71(121)51(3)139-99)92(77(127)63(47-113)145-102)153-95-68(104-53(5)116)80(130)73(123)59(43-109)141-95/h38,40,51,56-65,67-102,108-114,119,121-136H,8-37,39,41-50H2,1-7H3,(H,103,115)(H,104,116)(H,105,117)(H,106,118)(H,107,120)/b40-38+/t51-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,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](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[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]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C102H181N5O47/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-66(120)107-56(57(119)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)49-137-98-84(134)82(132)87(64(48-114)146-98)148-100-85(135)90(76(126)62(46-112)144-100)151-96-69(105-54(6)117)88(74(124)60(44-110)142-96)149-101-86(136)91(78(128)65(147-101)50-138-94-67(103-52(4)115)79(129)72(122)58(42-108)140-94)152-97-70(106-55(7)118)89(75(125)61(45-111)143-97)150-102-93(154-99-83(133)81(131)71(121)51(3)139-99)92(77(127)63(47-113)145-102)153-95-68(104-53(5)116)80(130)73(123)59(43-109)141-95/h38,40,51,56-65,67-102,108-114,119,121-136H,8-37,39,41-50H2,1-7H3,(H,103,115)(H,104,116)(H,105,117)(H,106,118)(H,107,120)/b40-38+/t51-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,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][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:66](=[N:107][C@@H:56]([CH2:49][O:137][C@H:98]1[C@H:84]([OH:134])[C@@H:82]([OH:132])[C@H:87]([O:148][C@H:100]2[C@H:85]([OH:135])[C@@H:90]([O:151][C@H:96]3[C@H:69]([N:105]=[C:54]([CH3:6])[OH:117])[C@@H:88]([O:149][C@H:101]4[C@H:86]([OH:136])[C@@H:91]([O:152][C@H:97]5[C@H:70]([N:106]=[C:55]([CH3:7])[OH:118])[C@@H:89]([O:150][C@H:102]6[C@H:93]([O:154][C@@H:99]7[C@@H:83]([OH:133])[C@H:81]([OH:131])[C@H:71]([OH:121])[C@@H:51]([CH3:3])[O:139]7)[C@@H:92]([O:153][C@@H:95]7[C@H:68]([N:104]=[C:53]([CH3:5])[OH:116])[C@@H:80]([OH:130])[C@@H:73]([OH:123])[C@@H:59]([CH2:43][OH:109])[O:141]7)[C@@H:77]([OH:127])[C@@H:63]([CH2:47][OH:113])[O:145]6)[C@H:75]([OH:125])[C@@H:61]([CH2:45][OH:111])[O:143]5)[C@@H:78]([OH:128])[C@@H:65]([CH2:50][O:138][C@H:94]5[C@H:67]([N:103]=[C:52]([CH3:4])[OH:115])[C@@H:79]([OH:129])[C@H:72]([OH:122])[C@@H:58]([CH2:42][OH:108])[O:140]5)[O:147]4)[C@H:74]([OH:124])[C@@H:60]([CH2:44][OH:110])[O:142]3)[C@@H:76]([OH:126])[C@@H:62]([CH2:46][OH:112])[O:144]2)[C@@H:64]([CH2:48][OH:114])[O:146]1)[C@@H:57](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:119])[OH:120] |
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