| Properties | Image |
MNX_ID | MNXM70331 |
 |
reference | slm:000013014 |
formula | C51H94NO8P |
global charge | 0 |
mol weight | 880.286 |
InChIKey | BLMQDDIKDYKGNW-LPSPOZDSSA-N |
InChI | InChI=1S/C51H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,49H,6-13,15,17-19,21,23-25,27,29-31,33,35-48H2,1-5H3/b16-14-,22-20-,28-26-,34-32-/t49-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C51H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,49H,6-13,15,17-19,21,23-25,27,29-31,33,35-48H2,1-5H3/b16-14-,22-20-,28-26-,34-32-/t49-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:51](=[O:54])[O:60][C@H:49]([CH2:47][O:57][C:50]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:53])[CH2:48][O:59][P:61](=[O:55])([O-:56])[O:58][CH2:46][CH2:45][N+:52]([CH3:3])([CH3:4])[CH3:5] |
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