| Properties | Image |
|---|
| MNX_ID | MNXM956278 |
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| reference | slm:000648663 |
| formula | C52H95NO9P |
| global charge | -1 |
| mol weight | 909.304 |
| InChIKey | DNCCOKRBMVFQMC-GSNKQHDFSA-M |
| InChI | InChI=1S/C52H96NO9P/c1-4-7-10-13-16-19-21-23-25-27-28-31-34-37-40-43-51(55)59-47-49(62-52(56)44-41-38-35-32-29-26-24-22-20-17-14-11-8-5-2)48-61-63(57,58)60-46-45-53-50(54)42-39-36-33-30-18-15-12-9-6-3/h16,19,23,25,28,31,49H,4-15,17-18,20-22,24,26-27,29-30,32-48H2,1-3H3,(H,53,54)(H,57,58)/p-1/b19-16-,25-23-,31-28-/t49-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H96NO9P/c1-4-7-10-13-16-19-21-23-25-27-28-31-34-37-40-43-51(55)59-47-49(62-52(56)44-41-38-35-32-29-26-24-22-20-17-14-11-8-5-2)48-61-63(57,58)60-46-45-53-50(54)42-39-36-33-30-18-15-12-9-6-3/h16,19,23,25,28,31,49H,4-15,17-18,20-22,24,26-27,29-30,32-48H2,1-3H3,(H,53,54)(H,57,58)/b19-16-,25-23-,31-28-/t49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:31]\[CH2:34][CH2:37][CH2:40][CH2:43][C:51](=[O:55])[O:59][CH2:47][C@H:49]([CH2:48][O:61][P:63]([OH:57])(=[O:58])[O:60][CH2:46][CH2:45][N:53]=[C:50]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:54])[O:62][C:52]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56] |
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