| Properties | Image |
|---|
| MNX_ID | MNXM956447 |
 |
| reference | slm:000648832 |
| formula | C47H85NO9P |
| global charge | -1 |
| mol weight | 839.169 |
| InChIKey | GSKIOAHHYLYLFQ-TUTJFQEESA-M |
| InChI | InChI=1S/C47H86NO9P/c1-4-7-10-13-15-17-19-20-21-22-23-24-26-28-30-33-35-38-46(50)54-42-44(57-47(51)39-36-31-12-9-6-3)43-56-58(52,53)55-41-40-48-45(49)37-34-32-29-27-25-18-16-14-11-8-5-2/h15,17,20-21,23-24,44H,4-14,16,18-19,22,25-43H2,1-3H3,(H,48,49)(H,52,53)/p-1/b17-15-,21-20-,24-23-/t44-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H86NO9P/c1-4-7-10-13-15-17-19-20-21-22-23-24-26-28-30-33-35-38-46(50)54-42-44(57-47(51)39-36-31-12-9-6-3)43-56-58(52,53)55-41-40-48-45(49)37-34-32-29-27-25-18-16-14-11-8-5-2/h15,17,20-21,23-24,44H,4-14,16,18-19,22,25-43H2,1-3H3,(H,48,49)(H,52,53)/b17-15-,21-20-,24-23-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26][CH2:28][CH2:30][CH2:33][CH2:35][CH2:38][C:46](=[O:50])[O:54][CH2:42][C@H:44]([CH2:43][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:41][CH2:40][N:48]=[C:45]([CH2:37][CH2:34][CH2:32][CH2:29][CH2:27][CH2:25][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:49])[O:57][C:47]([CH2:39][CH2:36][CH2:31][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51] |
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