| Properties | Image |
|---|
| MNX_ID | MNXM963054 |
 |
| reference | slm:000655439 |
| formula | C67H113NO9P |
| global charge | -1 |
| mol weight | 1107.613 |
| InChIKey | CLPZUXWOZZXIJI-CCNCCXQNSA-M |
| InChI | InChI=1S/C67H114NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-34-35-37-39-41-43-46-49-52-55-58-66(70)74-62-64(63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-18-15-12-9-6-3)77-67(71)59-56-53-50-47-44-42-40-38-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,29-31,33-35,38,40,44,47,64H,4-15,18,21-22,27-28,32,36-37,39,41-43,45-46,48-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b19-16-,20-17-,25-23-,26-24-,31-29-,33-30-,35-34-,40-38-,47-44-/t64-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-34-35-37-39-41-43-46-49-52-55-58-66(70)74-62-64(63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-18-15-12-9-6-3)77-67(71)59-56-53-50-47-44-42-40-38-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,29-31,33-35,38,40,44,47,64H,4-15,18,21-22,27-28,32,36-37,39,41-43,45-46,48-63H2,1-3H3,(H,68,69)(H,72,73)/b19-16-,20-17-,25-23-,26-24-,31-29-,33-30-,35-34-,40-38-,47-44-/t64-/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:29]=[CH:31]\[CH2:32]/[CH:34]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][C:66](=[O:70])[O:74][CH2:62][C@H:64]([CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:69])[O:77][C:67]([CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:33]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71] |
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