| Properties | Image |
MNX_ID | MNXM69928 |
 |
reference | chebi:179040 |
formula | C42H80NO8P |
global charge | 0 |
mol weight | 758.075 |
InChIKey | PORJVBHZWRAVRO-WVRXYBSSSA-N |
InChI | InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-19-17-15-13-11-9-7-2/h15,17,21-22,40H,6-14,16,18-20,23-39H2,1-5H3/b17-15-,22-21-/t40-/m1/s1 |
SMILES | CCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-19-17-15-13-11-9-7-2/h15,17,21-22,40H,6-14,16,18-20,23-39H2,1-5H3/b17-15-,22-21-/t40-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:41](=[O:44])[O:48][CH2:38][C@H:40]([CH2:39][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:37][CH2:36][N+:43]([CH3:3])([CH3:4])[CH3:5])[O:51][C:42]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:45] |
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