| Properties | Image |
|---|
| MNX_ID | MNXM27966 |
 |
| reference | lipidmapsM:LMSP0601GX06 |
| formula | C103H183N5O46 |
| global charge | 0 |
| mol weight | 2227.586 |
| InChIKey | QTPGWSJGRLKYEF-KCZQAUNBSA-N |
| InChI | InChI=1S/C103H183N5O46/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-70(123)108-59(60(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)53-139-98-84(133)83(132)89(67(51-114)145-98)149-100-86(135)93(152-99-85(134)92(78(127)65(49-112)143-99)151-97-73(106-57(5)118)81(130)77(126)64(48-111)142-97)79(128)69(147-100)54-140-95-74(107-58(6)119)82(131)88(66(50-113)144-95)148-101-87(136)94(90(68(52-115)146-101)150-96-72(105-56(4)117)80(129)76(125)63(47-110)141-96)154-103(102(137)138)45-61(121)71(104-55(3)116)91(153-103)75(124)62(122)46-109/h41,43,59-69,71-101,109-115,120-122,124-136H,7-40,42,44-54H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,119)(H,108,123)(H,137,138)/b43-41+/t59-,60+,61-,62+,63+,64+,65+,66+,67+,68+,69+,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-,103-/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)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C103H183N5O46/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-70(123)108-59(60(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)53-139-98-84(133)83(132)89(67(51-114)145-98)149-100-86(135)93(152-99-85(134)92(78(127)65(49-112)143-99)151-97-73(106-57(5)118)81(130)77(126)64(48-111)142-97)79(128)69(147-100)54-140-95-74(107-58(6)119)82(131)88(66(50-113)144-95)148-101-87(136)94(90(68(52-115)146-101)150-96-72(105-56(4)117)80(129)76(125)63(47-110)141-96)154-103(102(137)138)45-61(121)71(104-55(3)116)91(153-103)75(124)62(122)46-109/h41,43,59-69,71-101,109-115,120-122,124-136H,7-40,42,44-54H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,119)(H,108,123)(H,137,138)/b43-41+/t59-,60+,61-,62+,63+,64+,65+,66+,67+,68+,69+,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-,103-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:70](=[N:108][C@@H:59]([CH2:53][O:139][C@H:98]1[C@H:84]([OH:133])[C@@H:83]([OH:132])[C@H:89]([O:149][C@H:100]2[C@H:86]([OH:135])[C@@H:93]([O:152][C@@H:99]3[C@H:85]([OH:134])[C@@H:92]([O:151][C@H:97]4[C@H:73]([N:106]=[C:57]([CH3:5])[OH:118])[C@@H:81]([OH:130])[C@@H:77]([OH:126])[C@@H:64]([CH2:48][OH:111])[O:142]4)[C@@H:78]([OH:127])[C@@H:65]([CH2:49][OH:112])[O:143]3)[C@@H:79]([OH:128])[C@@H:69]([CH2:54][O:140][C@H:95]3[C@H:74]([N:107]=[C:58]([CH3:6])[OH:119])[C@@H:82]([OH:131])[C@H:88]([O:148][C@H:101]4[C@H:87]([OH:136])[C@@H:94]([O:154][C@:103]5([C:102](=[O:137])[OH:138])[CH2:45][C@H:61]([OH:121])[C@@H:71]([N:104]=[C:55]([CH3:3])[OH:116])[C@H:91]([C@@H:75]([C@@H:62]([CH2:46][OH:109])[OH:122])[OH:124])[O:153]5)[C@@H:90]([O:150][C@H:96]5[C@H:72]([N:105]=[C:56]([CH3:4])[OH:117])[C@@H:80]([OH:129])[C@@H:76]([OH:125])[C@@H:63]([CH2:47][OH:110])[O:141]5)[C@@H:68]([CH2:52][OH:115])[O:146]4)[C@@H:66]([CH2:50][OH:113])[O:144]3)[O:147]2)[C@@H:67]([CH2:51][OH:114])[O:145]1)[C@@H:60](/[CH:43]=[CH:41]/[CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:120])[OH:123] |
|