| Properties | Image |
|---|
| MNX_ID | MNXM26662 |
 |
| reference | lipidmapsM:LMSP0505CC01 |
| formula | C102H179N5O52 |
| global charge | 0 |
| mol weight | 2307.537 |
| InChIKey | DUKPIMYJFSQLST-UWNUTWCDSA-N |
| InChI | InChI=1S/C102H179N5O52/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(121)51(107-62(122)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)45-140-97-79(135)77(133)86(60(43-115)150-97)153-101-81(137)90(70(126)55(38-110)145-101)158-95-65(105-49(6)119)74(130)84(58(41-113)148-95)151-99-80(136)89(69(125)54(37-109)143-99)157-94-64(104-48(5)118)75(131)85(59(42-114)147-94)152-100-82(138)92(72(128)56(39-111)144-100)159-96-66(106-50(7)120)88(155-98-78(134)76(132)67(123)46(3)141-98)87(61(44-116)149-96)154-102-83(139)91(71(127)57(40-112)146-102)156-93-63(103-47(4)117)73(129)68(124)53(36-108)142-93/h32,34,46,51-61,63-102,108-116,121,123-139H,8-31,33,35-45H2,1-7H3,(H,103,117)(H,104,118)(H,105,119)(H,106,120)(H,107,122)/b34-32+/t46-,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+,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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[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]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9NC(C)=O)[C@H]8O)[C@H](O[C@H]8O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C102H179N5O52/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(121)51(107-62(122)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)45-140-97-79(135)77(133)86(60(43-115)150-97)153-101-81(137)90(70(126)55(38-110)145-101)158-95-65(105-49(6)119)74(130)84(58(41-113)148-95)151-99-80(136)89(69(125)54(37-109)143-99)157-94-64(104-48(5)118)75(131)85(59(42-114)147-94)152-100-82(138)92(72(128)56(39-111)144-100)159-96-66(106-50(7)120)88(155-98-78(134)76(132)67(123)46(3)141-98)87(61(44-116)149-96)154-102-83(139)91(71(127)57(40-112)146-102)156-93-63(103-47(4)117)73(129)68(124)53(36-108)142-93/h32,34,46,51-61,63-102,108-116,121,123-139H,8-31,33,35-45H2,1-7H3,(H,103,117)(H,104,118)(H,105,119)(H,106,120)(H,107,122)/b34-32+/t46-,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+,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][CH2:24][CH2:26][CH2:28][CH2:30]/[CH:32]=[CH:34]/[C@H:52]([C@H:51]([CH2:45][O:140][C@H:97]1[C@H:79]([OH:135])[C@@H:77]([OH:133])[C@H:86]([O:153][C@H:101]2[C@H:81]([OH:137])[C@@H:90]([O:158][C@H:95]3[C@H:65]([N:105]=[C:49]([CH3:6])[OH:119])[C@@H:74]([OH:130])[C@H:84]([O:151][C@H:99]4[C@H:80]([OH:136])[C@@H:89]([O:157][C@H:94]5[C@H:64]([N:104]=[C:48]([CH3:5])[OH:118])[C@@H:75]([OH:131])[C@H:85]([O:152][C@H:100]6[C@H:82]([OH:138])[C@@H:92]([O:159][C@H:96]7[C@H:66]([N:106]=[C:50]([CH3:7])[OH:120])[C@@H:88]([O:155][C@@H:98]8[C@@H:78]([OH:134])[C@H:76]([OH:132])[C@H:67]([OH:123])[C@@H:46]([CH3:3])[O:141]8)[C@H:87]([O:154][C@H:102]8[C@H:83]([OH:139])[C@@H:91]([O:156][C@H:93]9[C@H:63]([N:103]=[C:47]([CH3:4])[OH:117])[C@@H:73]([OH:129])[C@H:68]([OH:124])[C@@H:53]([CH2:36][OH:108])[O:142]9)[C@@H:71]([OH:127])[C@@H:57]([CH2:40][OH:112])[O:146]8)[C@@H:61]([CH2:44][OH:116])[O:149]7)[C@@H:72]([OH:128])[C@@H:56]([CH2:39][OH:111])[O:144]6)[C@@H:59]([CH2:42][OH:114])[O:147]5)[C@@H:69]([OH:125])[C@@H:54]([CH2:37][OH:109])[O:143]4)[C@@H:58]([CH2:41][OH:113])[O:148]3)[C@@H:70]([OH:126])[C@@H:55]([CH2:38][OH:110])[O:145]2)[C@@H:60]([CH2:43][OH:115])[O:150]1)[N:107]=[C:62]([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:122])[OH:121] |
|