| Properties | Image |
|---|
| MNX_ID | MNXM159478 |
 |
| reference | lipidmapsM:LMSP03020054 |
| formula | C42H83N2O6P |
| global charge | 0 |
| mol weight | 743.108 |
| InChIKey | UYEQOXRKBZBEJF-UPIOHIRESA-N |
| InChI | InChI=1S/C42H83N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(46)44-40(39-50-51(47,48)49-38-37-43)41(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h29,31,33,35,40-41,45H,3-28,30,32,34,36-39,43H2,1-2H3,(H,44,46)(H,47,48)/b31-29+,35-33+/t40-,41+/m0/s1 |
| SMILES | CCCCCCCCC/C=C/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H83N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(46)44-40(39-50-51(47,48)49-38-37-43)41(45)35-33-31-29-27-25-14-12-10-8-6-4-2/h29,31,33,35,40-41,45H,3-28,30,32,34,36-39,43H2,1-2H3,(H,44,46)(H,47,48)/b31-29+,35-33+/t40-,41+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:42](=[N:44][C@@H:40]([CH2:39][O:50][P:51]([OH:47])(=[O:48])[O:49][CH2:38][CH2:37][NH2:43])[C@@H:41](/[CH:35]=[CH:33]/[CH:31]=[CH:29]/[CH2:27][CH2:25][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:46] |
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