| Properties | Image |
|---|
| MNX_ID | MNXM957488 |
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| reference | slm:000649873 |
| formula | C64H115NO9P |
| global charge | -1 |
| mol weight | 1073.596 |
| InChIKey | MRBJNERLVKQKIG-QPRIIITQSA-M |
| InChI | InChI=1S/C64H116NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-56-64(68)74-61(59-71-63(67)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2)60-73-75(69,70)72-58-57-65-62(66)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29,33-34,37,61H,4-16,19,22-25,28,30-32,35-36,38-60H2,1-3H3,(H,65,66)(H,69,70)/p-1/b20-17-,21-18-,29-26-,33-27-,37-34-/t61-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H116NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-56-64(68)74-61(59-71-63(67)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2)60-73-75(69,70)72-58-57-65-62(66)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29,33-34,37,61H,4-16,19,22-25,28,30-32,35-36,38-60H2,1-3H3,(H,65,66)(H,69,70)/b20-17-,21-18-,29-26-,33-27-,37-34-/t61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:64](=[O:68])[O:74][C@H:61]([CH2:59][O:71][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67])[CH2:60][O:73][P:75]([OH:69])(=[O:70])[O:72][CH2:58][CH2:57][N:65]=[C:62]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:66] |
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