| Properties | Image |
|---|
| MNX_ID | MNXM957332 |
 |
| reference | slm:000649717 |
| formula | C67H117NO9P |
| global charge | -1 |
| mol weight | 1111.645 |
| InChIKey | DWUBUUCSBJWSKM-RDBWVAJHSA-M |
| InChI | InChI=1S/C67H118NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-67(71)77-64(62-74-66(70)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3/h9,12,17-18,20-21,25-29,36-37,40,64H,4-8,10-11,13-16,19,22-24,30-35,38-39,41-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H118NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-67(71)77-64(62-74-66(70)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3/h9,12,17-18,20-21,25-29,36-37,40,64H,4-8,10-11,13-16,19,22-24,30-35,38-39,41-63H2,1-3H3,(H,68,69)(H,72,73)/b12-9-,20-17-,21-18-,28-25-,29-26-,36-27-,40-37-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:77][C@H:64]([CH2:62][O:74][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:34]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70])[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][CH2:42][CH2:39]/[CH:36]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:69] |
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