| Properties | Image |
|---|
| MNX_ID | MNXM180902 |
 |
| reference | slm:000030271 |
| formula | C48H86NO8P |
| global charge | 0 |
| mol weight | 836.189 |
| InChIKey | WCIRJGUTNRSYIK-NKOVSMOLSA-N |
| InChI | InChI=1S/C48H86NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30-33-36-39-47(50)54-43-46(44-56-58(52,53)55-42-41-49)57-48(51)40-37-34-31-28-25-26-29-32-35-38-45(2)3/h8-9,11-12,14-15,17-18,20-21,45-46H,4-7,10,13,16,19,22-44,49H2,1-3H3,(H,52,53)/b9-8-,12-11-,15-14-,18-17-,21-20-/t46-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C48H86NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30-33-36-39-47(50)54-43-46(44-56-58(52,53)55-42-41-49)57-48(51)40-37-34-31-28-25-26-29-32-35-38-45(2)3/h8-9,11-12,14-15,17-18,20-21,45-46H,4-7,10,13,16,19,22-44,49H2,1-3H3,(H,52,53)/b9-8-,12-11-,15-14-,18-17-,21-20-/t46-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][C:47](=[O:50])[O:54][CH2:43][C@H:46]([CH2:44][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:42][CH2:41][NH2:49])[O:57][C:48]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:45]([CH3:2])[CH3:3])=[O:51] |
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