| Properties | Image |
|---|
| MNX_ID | MNXM960909 |
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| reference | slm:000653294 |
| formula | C46H81NO9P |
| global charge | -1 |
| mol weight | 823.126 |
| InChIKey | ZFQDARYEEBVNRL-WGBOFKQCSA-M |
| InChI | InChI=1S/C46H82NO9P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-32-36-45(49)53-40-43(56-46(50)37-33-29-26-23-24-27-31-34-42(3)4)41-55-57(51,52)54-39-38-47-44(48)35-30-8-6-2/h11-12,14-15,17-18,20-21,42-43H,5-10,13,16,19,22-41H2,1-4H3,(H,47,48)(H,51,52)/p-1/b12-11-,15-14-,18-17-,21-20-/t43-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C46H82NO9P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-32-36-45(49)53-40-43(56-46(50)37-33-29-26-23-24-27-31-34-42(3)4)41-55-57(51,52)54-39-38-47-44(48)35-30-8-6-2/h11-12,14-15,17-18,20-21,42-43H,5-10,13,16,19,22-41H2,1-4H3,(H,47,48)(H,51,52)/b12-11-,15-14-,18-17-,21-20-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][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][CH2:25][CH2:28][CH2:32][CH2:36][C:45](=[O:49])[O:53][CH2:40][C@H:43]([CH2:41][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:39][CH2:38][N:47]=[C:44]([CH2:35][CH2:30][CH2:8][CH2:6][CH3:2])[OH:48])[O:56][C:46]([CH2:37][CH2:33][CH2:29][CH2:26][CH2:23][CH2:24][CH2:27][CH2:31][CH2:34][CH:42]([CH3:3])[CH3:4])=[O:50] |
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