| Properties | Image |
|---|
| MNX_ID | MNXM159976 |
 |
| reference | lipidmapsM:LMGP15010029 |
| formula | C49H85O18P |
| global charge | 0 |
| mol weight | 993.175 |
| InChIKey | NZFGLTZZMUEWBH-WHJURPCISA-N |
| InChI | InChI=1S/C49H85O18P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(51)62-34-36(64-39(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-63-68(60,61)67-48-45(58)43(56)42(55)44(57)47(48)66-49-46(59)41(54)40(53)37(33-50)65-49/h8,10-11,13-14,16-18,36-37,40-50,53-59H,3-7,9,12,15,19-35H2,1-2H3,(H,60,61)/b10-8-,13-11-,16-14-,18-17-/t36-,37-,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C49H85O18P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(51)62-34-36(64-39(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-63-68(60,61)67-48-45(58)43(56)42(55)44(57)47(48)66-49-46(59)41(54)40(53)37(33-50)65-49/h8,10-11,13-14,16-18,36-37,40-50,53-59H,3-7,9,12,15,19-35H2,1-2H3,(H,60,61)/b10-8-,13-11-,16-14-,18-17-/t36-,37-,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:38](=[O:51])[O:62][CH2:34][C@H:36]([CH2:35][O:63][P:68]([OH:60])(=[O:61])[O:67][C@H:48]1[C@@H:45]([OH:58])[C@@H:43]([OH:56])[C@H:42]([OH:55])[C@@H:44]([OH:57])[C@@H:47]1[O:66][C@@H:49]1[C@@H:46]([OH:59])[C@@H:41]([OH:54])[C@H:40]([OH:53])[C@@H:37]([CH2:33][OH:50])[O:65]1)[O:64][C:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:52] |
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