| Properties | Image |
|---|
| MNX_ID | MNXM959016 |
 |
| reference | slm:000651401 |
| formula | C65H103NO9P |
| global charge | -1 |
| mol weight | 1073.511 |
| InChIKey | HMVKCEVCQIPOGK-STNJPIIBSA-M |
| InChI | InChI=1S/C65H104NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-63(67)66-58-59-73-76(70,71)74-61-62(75-65(69)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)60-72-64(68)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-44,46-47,62H,4-8,10-11,13-15,22-24,31-33,40-42,45,48-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-/t62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/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/C65H104NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-63(67)66-58-59-73-76(70,71)74-61-62(75-65(69)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)60-72-64(68)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,34-39,43-44,46-47,62H,4-8,10-11,13-15,22-24,31-33,40-42,45,48-61H2,1-3H3,(H,66,67)(H,70,71)/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-/t62-/m1/s1 |
 |
| 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:34]=[CH:37]\[CH2:40]/[CH:43]=[CH:46]\[CH2:49][CH2:52][CH2:55][C:63](=[N:66][CH2:58][CH2:59][O:73][P:76]([OH:70])(=[O:71])[O:74][CH2:61][C@@H:62]([CH2:60][O:72][C:64]([CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68])[O:75][C:65]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:69])[OH:67] |
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