| Properties | Image |
|---|
| MNX_ID | MNXM160641 |
 |
| reference | hmdb:HMDB0061621 |
| formula | C50H86NO12P |
| global charge | 0 |
| mol weight | 924.207 |
| InChIKey | PLZSIOCQCYCFQP-UHFFFAOYSA-N |
| InChI | InChI=1S/C50H86NO12P/c1-5-7-23-29-42-35-40(3)46(61-42)31-25-19-15-11-9-10-12-17-21-27-33-48(52)58-37-44(38-59-64(56,57)60-39-45(51)50(54)55)63-49(53)34-28-22-18-14-13-16-20-26-32-47-41(4)36-43(62-47)30-24-8-6-2/h35-36,44-45H,5-34,37-39,51H2,1-4H3,(H,54,55)(H,56,57) |
| SMILES | CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCCCC)O2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C50H86NO12P/c1-5-7-23-29-42-35-40(3)46(61-42)31-25-19-15-11-9-10-12-17-21-27-33-48(52)58-37-44(38-59-64(56,57)60-39-45(51)50(54)55)63-49(53)34-28-22-18-14-13-16-20-26-32-47-41(4)36-43(62-47)30-24-8-6-2/h35-36,44-45H,5-34,37-39,51H2,1-4H3,(H,54,55)(H,56,57)/t44?,45? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:23][CH2:29][C:42]1=[CH:35][C:40]([CH3:3])=[C:46]([CH2:31][CH2:25][CH2:19][CH2:15][CH2:11][CH2:9][CH2:10][CH2:12][CH2:17][CH2:21][CH2:27][CH2:33][C:48](=[O:52])[O:58][CH2:37][CH:44]([CH2:38][O:59][P:64]([OH:56])(=[O:57])[O:60][CH2:39][CH:45]([C:50](=[O:54])[OH:55])[NH2:51])[O:63][C:49]([CH2:34][CH2:28][CH2:22][CH2:18][CH2:14][CH2:13][CH2:16][CH2:20][CH2:26][CH2:32][C:47]2=[C:41]([CH3:4])[CH:36]=[C:43]([CH2:30][CH2:24][CH2:8][CH2:6][CH3:2])[O:62]2)=[O:53])[O:61]1 |
|