| Properties | Image |
|---|
| MNX_ID | MNXM1024078 |
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| reference | slm:000716467 |
| formula | C67H111NO8P |
| global charge | -1 |
| mol weight | 1089.598 |
| InChIKey | GUWMMOASIKKWHZ-BFGZLMLESA-M |
| InChI | InChI=1S/C67H112NO8P/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-67(70)76-65(63-73-61-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-75-77(71,72)74-62-60-68-66(69)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32-33,36-38,40,46,49,57,61,65H,4-15,22-24,31,34-35,39,41-45,47-48,50-56,58-60,62-64H2,1-3H3,(H,68,69)(H,71,72)/p-1/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,33-32-,38-36-,40-37-,49-46-,61-57-/t65-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H112NO8P/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-36-38-41-44-47-50-53-56-59-67(70)76-65(63-73-61-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)64-75-77(71,72)74-62-60-68-66(69)58-55-52-49-46-43-40-37-35-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32-33,36-38,40,46,49,57,61,65H,4-15,22-24,31,34-35,39,41-45,47-48,50-56,58-60,62-64H2,1-3H3,(H,68,69)(H,71,72)/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,33-32-,38-36-,40-37-,49-46-,61-57-/t65-/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]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34]/[CH:36]=[CH:38]\[CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:70])[O:76][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]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[CH2:64][O:75][P:77]([OH:71])(=[O:72])[O:74][CH2:62][CH2:60][N:68]=[C:66]([CH2:58][CH2:55][CH2:52]/[CH:49]=[CH:46]\[CH2:43]/[CH:40]=[CH:37]\[CH2:35]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:69] |
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