| Properties | Image |
|---|
| MNX_ID | MNXM158028 |
 |
| reference | lipidmapsM:LMSP03030093 |
| formula | C54H106NO18P |
| global charge | 0 |
| mol weight | 1088.405 |
| InChIKey | IZLHORXDFZALJC-HWYAJBMHSA-N |
| InChI | InChI=1S/C54H106NO18P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-41(58)53(67)55-39(43(59)40(57)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)38-70-74(68,69)73-52-49(65)47(63)46(62)48(64)51(52)72-54-50(66)45(61)44(60)42(37-56)71-54/h39-52,54,56-66H,3-38H2,1-2H3,(H,55,67)(H,68,69)/t39-,40+,41?,42+,43-,44+,45-,46-,47-,48+,49+,50-,51+,52-,54+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(O)C(=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/C54H106NO18P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-41(58)53(67)55-39(43(59)40(57)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)38-70-74(68,69)73-52-49(65)47(63)46(62)48(64)51(52)72-54-50(66)45(61)44(60)42(37-56)71-54/h39-52,54,56-66H,3-38H2,1-2H3,(H,55,67)(H,68,69)/t39-,40+,41?,42+,43-,44+,45-,46-,47-,48+,49+,50-,51+,52-,54+/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][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH:41]([C:53](=[N:55][C@@H:39]([CH2:38][O:70][P:74]([OH:68])(=[O:69])[O:73][C@H:52]1[C@H:49]([OH:65])[C@@H:47]([OH:63])[C@H:46]([OH:62])[C@@H:48]([OH:64])[C@H:51]1[O:72][C@@H:54]1[C@@H:50]([OH:66])[C@@H:45]([OH:61])[C@H:44]([OH:60])[C@@H:42]([CH2:37][OH:56])[O:71]1)[C@@H:43]([C@@H:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:59])[OH:67])[OH:58] |
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