| Properties | Image |
|---|
| MNX_ID | MNXM235519 |
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| reference | slm:000031968 |
| formula | C53H94NO8P |
| global charge | 0 |
| mol weight | 904.308 |
| InChIKey | WAPXWHBWOHUQOF-JFPFLVNSSA-N |
| InChI | InChI=1S/C53H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,51H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-50,54H2,1-2H3,(H,57,58)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C53H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,51H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-50,54H2,1-2H3,(H,57,58)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:52](=[O:55])[O:59][CH2:49][C@H:51]([CH2:50][O:61][P:63]([OH:57])(=[O:58])[O:60][CH2:48][CH2:47][NH2:54])[O:62][C:53]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:56] |
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