| Properties | Image |
|---|
| MNX_ID | MNXM963863 |
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| reference | slm:000656248 |
| formula | C61H99NO9P |
| global charge | -1 |
| mol weight | 1021.435 |
| InChIKey | OKAHALZBXBZGIS-RBXYQOOQSA-M |
| InChI | InChI=1S/C61H100NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-30-31-33-34-36-38-40-42-44-46-49-52-60(64)68-56-58(57-70-72(66,67)69-55-54-62-59(63)51-48-9-6-3)71-61(65)53-50-47-45-43-41-39-37-35-32-25-23-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-23,26-27,29-30,32,35,39,41,45,47,58H,4-7,9-10,12-13,18-19,24-25,28,31,33-34,36-38,40,42-44,46,48-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b11-8-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,35-32-,41-39-,47-45-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H100NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-30-31-33-34-36-38-40-42-44-46-49-52-60(64)68-56-58(57-70-72(66,67)69-55-54-62-59(63)51-48-9-6-3)71-61(65)53-50-47-45-43-41-39-37-35-32-25-23-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-23,26-27,29-30,32,35,39,41,45,47,58H,4-7,9-10,12-13,18-19,24-25,28,31,33-34,36-38,40,42-44,46,48-57H2,1-3H3,(H,62,63)(H,66,67)/b11-8-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,35-32-,41-39-,47-45-/t58-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:49][CH2:52][C:60](=[O:64])[O:68][CH2:56][C@H:58]([CH2:57][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:55][CH2:54][N:62]=[C:59]([CH2:51][CH2:48][CH2:9][CH2:6][CH3:3])[OH:63])[O:71][C:61]([CH2:53][CH2:50]/[CH:47]=[CH:45]\[CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:32]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:65] |
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