| Properties | Image |
|---|
| MNX_ID | MNXM1025867 |
 |
| reference | slm:000718256 |
| formula | C54H95NO8P |
| global charge | -1 |
| mol weight | 917.327 |
| InChIKey | NZJXJNCVCDXGTD-PPVDAQSASA-M |
| InChI | InChI=1S/C54H96NO8P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-32-36-40-44-53(56)55-46-48-61-64(58,59)62-50-52(49-60-47-42-38-34-30-29-31-35-39-43-51(3)4)63-54(57)45-41-37-33-28-25-16-14-12-10-8-6-2/h7,9,13,15,18-19,21-22,24,26,32,36,51-52H,5-6,8,10-12,14,16-17,20,23,25,27-31,33-35,37-50H2,1-4H3,(H,55,56)(H,58,59)/p-1/b9-7-,15-13-,19-18-,22-21-,26-24-,36-32-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96NO8P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-32-36-40-44-53(56)55-46-48-61-64(58,59)62-50-52(49-60-47-42-38-34-30-29-31-35-39-43-51(3)4)63-54(57)45-41-37-33-28-25-16-14-12-10-8-6-2/h7,9,13,15,18-19,21-22,24,26,32,36,51-52H,5-6,8,10-12,14,16-17,20,23,25,27-31,33-35,37-50H2,1-4H3,(H,55,56)(H,58,59)/b9-7-,15-13-,19-18-,22-21-,26-24-,36-32-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:27]/[CH:32]=[CH:36]\[CH2:40][CH2:44][C:53](=[N:55][CH2:46][CH2:48][O:61][P:64]([OH:58])(=[O:59])[O:62][CH2:50][C@@H:52]([CH2:49][O:60][CH2:47][CH2:42][CH2:38][CH2:34][CH2:30][CH2:29][CH2:31][CH2:35][CH2:39][CH2:43][CH:51]([CH3:3])[CH3:4])[O:63][C:54]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:28][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:57])[OH:56] |
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