| Properties | Image |
|---|
| MNX_ID | MNXM961388 |
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| reference | slm:000653773 |
| formula | C63H105NO9P |
| global charge | -1 |
| mol weight | 1051.505 |
| InChIKey | IRCNNLZURBGYGO-KTRHNRIDSA-M |
| InChI | InChI=1S/C63H106NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-30-32-33-35-37-39-42-45-48-51-54-62(66)70-58-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-18-15-12-9-6-3)73-63(67)55-52-49-46-43-40-38-36-34-31-28-26-24-22-20-17-14-11-8-5-2/h8,11,16-17,19-20,23-26,29-31,33-35,38,40,60H,4-7,9-10,12-15,18,21-22,27-28,32,36-37,39,41-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b11-8-,19-16-,20-17-,25-23-,26-24-,30-29-,34-31-,35-33-,40-38-/t60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H106NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-30-32-33-35-37-39-42-45-48-51-54-62(66)70-58-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-18-15-12-9-6-3)73-63(67)55-52-49-46-43-40-38-36-34-31-28-26-24-22-20-17-14-11-8-5-2/h8,11,16-17,19-20,23-26,29-31,33-35,38,40,60H,4-7,9-10,12-15,18,21-22,27-28,32,36-37,39,41-59H2,1-3H3,(H,64,65)(H,68,69)/b11-8-,19-16-,20-17-,25-23-,26-24-,30-29-,34-31-,35-33-,40-38-/t60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:32]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:62](=[O:66])[O:70][CH2:58][C@H:60]([CH2:59][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:57][CH2:56][N:64]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65])[O:73][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:31]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:67] |
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