| Properties | Image |
MNX_ID | MNXM1107144 |
 |
reference | chebi:196822 |
formula | C42H80NO8P |
global charge | 0 |
mol weight | 758.075 |
InChIKey | JLPULHDHAOZNQI-JLOPVYAASA-N |
InChI | InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/m1/s1 |
SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/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:21]/[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:45])[O:51][C@H:40]([CH2:38][O:48][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:44])[CH2:39][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:37][CH2:36][N+:43]([CH3:3])([CH3:4])[CH3:5] |
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