| Properties | Image |
|---|
| MNX_ID | MNXM158033 |
 |
| reference | lipidmapsM:LMSP03030101 |
| formula | C58H114NO17P |
| global charge | 0 |
| mol weight | 1128.514 |
| InChIKey | NOMLKAXMLRHLKP-BRENWXCASA-N |
| InChI | InChI=1S/C58H114NO17P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(62)59-44(48(63)45(61)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2)43-73-77(71,72)76-57-54(69)52(67)51(66)53(68)56(57)75-58-55(70)50(65)49(64)46(42-60)74-58/h44-46,48-58,60-61,63-70H,3-43H2,1-2H3,(H,59,62)(H,71,72)/t44-,45+,46+,48-,49+,50-,51-,52-,53+,54+,55-,56+,57-,58+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H114NO17P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(62)59-44(48(63)45(61)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2)43-73-77(71,72)76-57-54(69)52(67)51(66)53(68)56(57)75-58-55(70)50(65)49(64)46(42-60)74-58/h44-46,48-58,60-61,63-70H,3-43H2,1-2H3,(H,59,62)(H,71,72)/t44-,45+,46+,48-,49+,50-,51-,52-,53+,54+,55-,56+,57-,58+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][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:47](=[N:59][C@@H:44]([CH2:43][O:73][P:77]([OH:71])(=[O:72])[O:76][C@H:57]1[C@H:54]([OH:69])[C@@H:52]([OH:67])[C@H:51]([OH:66])[C@@H:53]([OH:68])[C@H:56]1[O:75][C@@H:58]1[C@@H:55]([OH:70])[C@@H:50]([OH:65])[C@H:49]([OH:64])[C@@H:46]([CH2:42][OH:60])[O:74]1)[C@@H:48]([C@@H:45]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:61])[OH:63])[OH:62] |
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