| Properties | Image |
|---|
| MNX_ID | MNXM1052951 |
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| reference | slm:000745351 |
| formula | C55H89N3O15P2 |
| global charge | -2 |
| mol weight | 1094.271 |
| InChIKey | RSWOIHGOWOQIEY-SOVMFYNYSA-L |
| InChI | InChI=1S/C55H91N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-33-36-39-50(59)68-43-47(71-51(60)40-37-34-31-28-25-22-23-26-29-32-35-38-46(2)3)44-69-74(64,65)73-75(66,67)70-45-48-52(61)53(62)54(72-48)58-42-41-49(56)57-55(58)63/h5-6,8-9,11-12,14-15,17-18,20-21,41-42,46-48,52-54,61-62H,4,7,10,13,16,19,22-40,43-45H2,1-3H3,(H,64,65)(H,66,67)(H2,56,57,63)/p-2/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t47-,48-,52-,53-,54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C55H91N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-33-36-39-50(59)68-43-47(71-51(60)40-37-34-31-28-25-22-23-26-29-32-35-38-46(2)3)44-69-74(64,65)73-75(66,67)70-45-48-52(61)53(62)54(72-48)58-42-41-49(56)57-55(58)63/h5-6,8-9,11-12,14-15,17-18,20-21,41-42,46-48,52-54,61-62H,4,7,10,13,16,19,22-40,43-45H2,1-3H3,(H,64,65)(H,66,67)(H2,56,57,63)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t47-,48-,52-,53-,54-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][C:50](=[O:59])[O:68][CH2:43][C@H:47]([CH2:44][O:69][P:74]([OH:64])(=[O:65])[O:73][P:75]([OH:66])(=[O:67])[O:70][CH2:45][C@@H:48]1[C@@H:52]([OH:61])[C@@H:53]([OH:62])[C@H:54]([N:58]2[CH:42]=[CH:41][C:49](=[NH:56])[N:57]=[C:55]2[OH:63])[O:72]1)[O:71][C:51]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:46]([CH3:2])[CH3:3])=[O:60] |
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