| Properties | Image |
|---|
| MNX_ID | MNXM157602 |
 |
| reference | lipidmapsM:LMSP03030132 |
| formula | C54H105NO24P2 |
| global charge | 0 |
| mol weight | 1214.365 |
| InChIKey | LAZLUFQSNCCEJT-OPKJRQPCSA-N |
| InChI | InChI=1S/C54H105NO24P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(56)35(55-38(57)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)33-74-80(70,71)79-53-49(68)45(64)44(63)48(67)52(53)77-54-50(69)40(59)39(58)37(76-54)34-75-81(72,73)78-51-46(65)42(61)41(60)43(62)47(51)66/h35-37,39-54,56,58-69H,3-34H2,1-2H3,(H,55,57)(H,70,71)(H,72,73)/t35-,36+,37+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+,50-,51-,52+,53-,54+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCC[C@@H](O)[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](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H105NO24P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(56)35(55-38(57)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)33-74-80(70,71)79-53-49(68)45(64)44(63)48(67)52(53)77-54-50(69)40(59)39(58)37(76-54)34-75-81(72,73)78-51-46(65)42(61)41(60)43(62)47(51)66/h35-37,39-54,56,58-69H,3-34H2,1-2H3,(H,55,57)(H,70,71)(H,72,73)/t35-,36+,37+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+,50-,51-,52+,53-,54+/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][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C@H:36]([C@H:35]([CH2:33][O:74][P:80]([OH:70])(=[O:71])[O:79][C@H:53]1[C@H:49]([OH:68])[C@@H:45]([OH:64])[C@H:44]([OH:63])[C@@H:48]([OH:67])[C@H:52]1[O:77][C@@H:54]1[C@@H:50]([OH:69])[C@@H:40]([OH:59])[C@H:39]([OH:58])[C@@H:37]([CH2:34][O:75][P:81]([OH:72])(=[O:73])[O:78][C@H:51]2[C@H:46]([OH:65])[C@@H:42]([OH:61])[C@H:41]([OH:60])[C@@H:43]([OH:62])[C@H:47]2[OH:66])[O:76]1)[N:55]=[C:38]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:56] |
|