| Properties | Image |
|---|
| MNX_ID | MNXM955252 |
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| reference | slm:000647637 |
| formula | C45H79NO9P |
| global charge | -1 |
| mol weight | 809.099 |
| InChIKey | UWAROUCTIKPXJR-VLHOUFAWSA-M |
| InChI | InChI=1S/C45H80NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-43(47)46-38-39-53-56(50,51)54-41-42(55-45(49)35-6-3)40-52-44(48)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h14,16,19-22,26,28,42H,4-13,15,17-18,23-25,27,29-41H2,1-3H3,(H,46,47)(H,50,51)/p-1/b16-14-,21-19-,22-20-,28-26-/t42-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C45H80NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-43(47)46-38-39-53-56(50,51)54-41-42(55-45(49)35-6-3)40-52-44(48)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h14,16,19-22,26,28,42H,4-13,15,17-18,23-25,27,29-41H2,1-3H3,(H,46,47)(H,50,51)/b16-14-,21-19-,22-20-,28-26-/t42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:36][C:43](=[N:46][CH2:38][CH2:39][O:53][P:56]([OH:50])(=[O:51])[O:54][CH2:41][C@@H:42]([CH2:40][O:52][C:44]([CH2:37][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])=[O:48])[O:55][C:45]([CH2:35][CH2:6][CH3:3])=[O:49])[OH:47] |
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