| Properties | Image |
|---|
| MNX_ID | MNXM356234 |
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| reference | slm:000035396 |
| formula | C54H98NO8P |
| global charge | 0 |
| mol weight | 920.351 |
| InChIKey | TWDHRJAUQHLXCD-BLDHWECQSA-N |
| InChI | InChI=1S/C54H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55)50-60-53(56)46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,29,31,52H,3-10,12,14-16,18,20-22,25,28,30,32-51,55H2,1-2H3,(H,58,59)/b13-11-,19-17-,24-23-,27-26-,31-29-/t52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C54H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55)50-60-53(56)46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,29,31,52H,3-10,12,14-16,18,20-22,25,28,30,32-51,55H2,1-2H3,(H,58,59)/b13-11-,19-17-,24-23-,27-26-,31-29-/t52-/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]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:54](=[O:57])[O:63][C@H:52]([CH2:50][O:60][C:53]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:51][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:49][CH2:48][NH2:55] |
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