| Properties | Image |
|---|
| MNX_ID | MNXM1020463 |
 |
| reference | slm:000712852 |
| formula | C67H113NO8P |
| global charge | -1 |
| mol weight | 1091.614 |
| InChIKey | TWLRKGREWLFZMN-ZVOKVQDESA-M |
| InChI | InChI=1S/C67H114NO8P/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-66(69)68-60-62-74-77(71,72)75-64-65(63-73-61-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)76-67(70)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,35,40,43,49,52,57,61,65H,4-6,8-9,11-15,18,21-24,31-32,34,36-39,41-42,44-48,50-51,53-56,58-60,62-64H2,1-3H3,(H,68,69)(H,71,72)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-33-,43-40-,52-49-,61-57-/t65-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO8P/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-66(69)68-60-62-74-77(71,72)75-64-65(63-73-61-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)76-67(70)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,35,40,43,49,52,57,61,65H,4-6,8-9,11-15,18,21-24,31-32,34,36-39,41-42,44-48,50-51,53-56,58-60,62-64H2,1-3H3,(H,68,69)(H,71,72)/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,35-33-,43-40-,52-49-,61-57-/t65-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46]/[CH:49]=[CH:52]\[CH2:55][CH2:58][C:66](=[N:68][CH2:60][CH2:62][O:74][P:77]([OH:71])(=[O:72])[O:75][CH2:64][C@@H:65]([CH2:63][O:73]/[CH:61]=[CH:57]\[CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[O:76][C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70])[OH:69] |
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