| Properties | Image |
|---|
| MNX_ID | MNXM962310 |
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| reference | slm:000654695 |
| formula | C45H79NO9P |
| global charge | -1 |
| mol weight | 809.099 |
| InChIKey | KYPVLXPESVWVHB-XPQUYLMYSA-M |
| InChI | InChI=1S/C45H80NO9P/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-34-36-44(48)52-40-42(55-45(49)37-32-9-6-3)41-54-56(50,51)53-39-38-46-43(47)35-33-30-11-8-5-2/h13-14,16-17,19-20,22-23,42H,4-12,15,18,21,24-41H2,1-3H3,(H,46,47)(H,50,51)/p-1/b14-13-,17-16-,20-19-,23-22-/t42-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H80NO9P/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-34-36-44(48)52-40-42(55-45(49)37-32-9-6-3)41-54-56(50,51)53-39-38-46-43(47)35-33-30-11-8-5-2/h13-14,16-17,19-20,22-23,42H,4-12,15,18,21,24-41H2,1-3H3,(H,46,47)(H,50,51)/b14-13-,17-16-,20-19-,23-22-/t42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:34][CH2:36][C:44](=[O:48])[O:52][CH2:40][C@H:42]([CH2:41][O:54][P:56]([OH:50])(=[O:51])[O:53][CH2:39][CH2:38][N:46]=[C:43]([CH2:35][CH2:33][CH2:30][CH2:11][CH2:8][CH2:5][CH3:2])[OH:47])[O:55][C:45]([CH2:37][CH2:32][CH2:9][CH2:6][CH3:3])=[O:49] |
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