| Properties | Image |
|---|
| MNX_ID | MNXM957474 |
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| reference | slm:000649859 |
| formula | C62H111NO9P |
| global charge | -1 |
| mol weight | 1045.542 |
| InChIKey | PFGFIYLLZZPBJK-BIZHARJSSA-M |
| InChI | InChI=1S/C62H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-61(65)69-57-59(72-62(66)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)58-71-73(67,68)70-56-55-63-60(64)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31,33,35,59H,4-15,17,20,22-24,26,29-30,32,34,36-58H2,1-3H3,(H,63,64)(H,67,68)/p-1/b19-16-,21-18-,28-25-,31-27-,35-33-/t59-/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)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-61(65)69-57-59(72-62(66)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)58-71-73(67,68)70-56-55-63-60(64)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,31,33,35,59H,4-15,17,20,22-24,26,29-30,32,34,36-58H2,1-3H3,(H,63,64)(H,67,68)/b19-16-,21-18-,28-25-,31-27-,35-33-/t59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:33]=[CH:35]\[CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:61](=[O:65])[O:69][CH2:57][C@H:59]([CH2:58][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:56][CH2:55][N:63]=[C:60]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:64])[O:72][C:62]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66] |
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