| Properties | Image |
|---|
| MNX_ID | MNXM200623 |
 |
| reference | slm:000001896 |
| formula | C50H81NO10P |
| global charge | -1 |
| mol weight | 887.169 |
| InChIKey | IUNSNUAEJLMCMK-MASBNIIHSA-M |
| InChI | InChI=1S/C50H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(53)61-46(44-59-62(56,57)60-45-47(51)50(54)55)43-58-48(52)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22-23,26,28,32,34,46-47H,3-4,6,8-10,15-16,21,24-25,27,29-31,33,35-45,51H2,1-2H3,(H,54,55)(H,56,57)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,28-26-,34-32-/t46-,47+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C50H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(53)61-46(44-59-62(56,57)60-45-47(51)50(54)55)43-58-48(52)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22-23,26,28,32,34,46-47H,3-4,6,8-10,15-16,21,24-25,27,29-31,33,35-45,51H2,1-2H3,(H,54,55)(H,56,57)/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,28-26-,34-32-/t46-,47+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:53])[O:61][C@H:46]([CH2:43][O:58][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52])[CH2:44][O:59][P:62]([OH:56])(=[O:57])[O:60][CH2:45][C@@H:47]([C:50](=[O:54])[OH:55])[NH2:51] |
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