| Properties | Image |
|---|
| MNX_ID | MNXM1049989 |
 |
| reference | slm:000742389 |
| formula | C60H99N3O15P2 |
| global charge | -2 |
| mol weight | 1164.406 |
| InChIKey | KSUADBBLASJGBQ-JQAZPZEOSA-L |
| InChI | InChI=1S/C60H101N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-56(65)76-52(49-73-55(64)45-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2)50-74-79(69,70)78-80(71,72)75-51-53-57(66)58(67)59(77-53)63-48-47-54(61)62-60(63)68/h11,13-14,16-19,21-22,24-25,31,47-48,52-53,57-59,66-67H,3-10,12,15,20,23,26-30,32-46,49-51H2,1-2H3,(H,69,70)(H,71,72)(H2,61,62,68)/p-2/b13-11-,16-14+,19-17-,22-21-,25-24-,31-18-/t52-,53-,57-,58-,59-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C=C\CCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C60H101N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-56(65)76-52(49-73-55(64)45-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2)50-74-79(69,70)78-80(71,72)75-51-53-57(66)58(67)59(77-53)63-48-47-54(61)62-60(63)68/h11,13-14,16-19,21-22,24-25,31,47-48,52-53,57-59,66-67H,3-10,12,15,20,23,26-30,32-46,49-51H2,1-2H3,(H,69,70)(H,71,72)(H2,61,62,68)/b13-11-,16-14+,19-17-,22-21-,25-24-,31-18-/t52-,53-,57-,58-,59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:56](=[O:65])[O:76][C@H:52]([CH2:49][O:73][C:55]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33]/[CH:31]=[CH:18]\[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64])[CH2:50][O:74][P:79]([OH:69])(=[O:70])[O:78][P:80]([OH:71])(=[O:72])[O:75][CH2:51][C@@H:53]1[C@@H:57]([OH:66])[C@@H:58]([OH:67])[C@H:59]([N:63]2[CH:48]=[CH:47][C:54](=[NH:61])[N:62]=[C:60]2[OH:68])[O:77]1 |
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