| Properties | Image |
|---|
| MNX_ID | MNXM157991 |
 |
| reference | lipidmapsM:LMSP03030061 |
| formula | C48H94NO16P |
| global charge | 0 |
| mol weight | 972.245 |
| InChIKey | AOUZHUXBVMYZCY-FAHPNZRFSA-N |
| InChI | InChI=1S/C48H94NO16P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(52)49-35(36(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-62-66(60,61)65-47-44(58)42(56)41(55)43(57)46(47)64-48-45(59)40(54)39(53)37(33-50)63-48/h35-37,39-48,50-51,53-59H,3-34H2,1-2H3,(H,49,52)(H,60,61)/t35-,36+,37+,39+,40-,41-,42-,43+,44+,45-,46+,47-,48+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H94NO16P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(52)49-35(36(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-62-66(60,61)65-47-44(58)42(56)41(55)43(57)46(47)64-48-45(59)40(54)39(53)37(33-50)63-48/h35-37,39-48,50-51,53-59H,3-34H2,1-2H3,(H,49,52)(H,60,61)/t35-,36+,37+,39+,40-,41-,42-,43+,44+,45-,46+,47-,48+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:38](=[N:49][C@@H:35]([CH2:34][O:62][P:66]([OH:60])(=[O:61])[O:65][C@H:47]1[C@H:44]([OH:58])[C@@H:42]([OH:56])[C@H:41]([OH:55])[C@@H:43]([OH:57])[C@H:46]1[O:64][C@@H:48]1[C@@H:45]([OH:59])[C@@H:40]([OH:54])[C@H:39]([OH:53])[C@@H:37]([CH2:33][OH:50])[O:63]1)[C@@H:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:51])[OH:52] |
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