| Properties | Image |
|---|
| MNX_ID | MNXM160583 |
 |
| reference | hmdb:HMDB0061563 |
| formula | C52H90NO12P |
| global charge | 0 |
| mol weight | 952.261 |
| InChIKey | GWVSZWDSPBCKSQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C52H90NO12P/c1-7-9-25-31-46-40(3)42(5)48(64-46)33-27-21-17-13-11-12-14-20-24-30-36-51(55)63-44(38-61-66(58,59)62-39-45(53)52(56)57)37-60-50(54)35-29-23-19-16-15-18-22-28-34-49-43(6)41(4)47(65-49)32-26-10-8-2/h44-45H,7-39,53H2,1-6H3,(H,56,57)(H,58,59) |
| SMILES | CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(=O)(O)OCC(N)C(=O)O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C52H90NO12P/c1-7-9-25-31-46-40(3)42(5)48(64-46)33-27-21-17-13-11-12-14-20-24-30-36-51(55)63-44(38-61-66(58,59)62-39-45(53)52(56)57)37-60-50(54)35-29-23-19-16-15-18-22-28-34-49-43(6)41(4)47(65-49)32-26-10-8-2/h44-45H,7-39,53H2,1-6H3,(H,56,57)(H,58,59)/t44?,45? |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:25][CH2:31][C:46]1=[C:40]([CH3:3])[C:42]([CH3:5])=[C:48]([CH2:33][CH2:27][CH2:21][CH2:17][CH2:13][CH2:11][CH2:12][CH2:14][CH2:20][CH2:24][CH2:30][CH2:36][C:51](=[O:55])[O:63][CH:44]([CH2:37][O:60][C:50]([CH2:35][CH2:29][CH2:23][CH2:19][CH2:16][CH2:15][CH2:18][CH2:22][CH2:28][CH2:34][C:49]2=[C:43]([CH3:6])[C:41]([CH3:4])=[C:47]([CH2:32][CH2:26][CH2:10][CH2:8][CH3:2])[O:65]2)=[O:54])[CH2:38][O:61][P:66]([OH:58])(=[O:59])[O:62][CH2:39][CH:45]([C:52](=[O:56])[OH:57])[NH2:53])[O:64]1 |
|