| Properties | Image |
|---|
| MNX_ID | MNXM953400 |
 |
| reference | slm:000645785 |
| formula | C59H103NO9P |
| global charge | -1 |
| mol weight | 1001.445 |
| InChIKey | QTDQHGOAHWKHKN-BHBVKGROSA-M |
| InChI | InChI=1S/C59H104NO9P/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-58(62)66-54-56(69-59(63)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)55-68-70(64,65)67-53-52-60-57(61)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h12,15-17,19-21,24-27,29,56H,4-11,13-14,18,22-23,28,30-55H2,1-3H3,(H,60,61)(H,64,65)/p-1/b15-12-,19-16-,20-17-,24-21-,27-25-,29-26-/t56-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H104NO9P/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-58(62)66-54-56(69-59(63)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)55-68-70(64,65)67-53-52-60-57(61)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h12,15-17,19-21,24-27,29,56H,4-11,13-14,18,22-23,28,30-55H2,1-3H3,(H,60,61)(H,64,65)/b15-12-,19-16-,20-17-,24-21-,27-25-,29-26-/t56-/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:27]\[CH2:28][CH2:30][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:58](=[O:62])[O:66][CH2:54][C@H:56]([CH2:55][O:68][P:70]([OH:64])(=[O:65])[O:67][CH2:53][CH2:52][N:60]=[C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:61])[O:69][C:59]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:31]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:63] |
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