| Properties | Image |
MNX_ID | MNXM192070 |
 |
reference | slm:000008055 |
formula | C40H76NO8P |
global charge | 0 |
mol weight | 730.021 |
InChIKey | KVLXYLCYQNSPQA-ZFQFWKBPSA-N |
InChI | InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13,15-16,18,38H,6-12,14,17,19-37H2,1-5H3/b15-13-,18-16+/t38-/m1/s1 |
SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13,15-16,18,38H,6-12,14,17,19-37H2,1-5H3/b15-13-,18-16+/t38-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14]/[CH:16]=[CH:18]/[CH2:19][CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:39](=[O:42])[O:46][CH2:36][C@H:38]([CH2:37][O:48][P:50](=[O:44])([O-:45])[O:47][CH2:35][CH2:34][N+:41]([CH3:3])([CH3:4])[CH3:5])[O:49][C:40]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:17]/[CH:15]=[CH:13]\[CH2:11][CH2:9][CH2:7][CH3:2])=[O:43] |
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