| Properties | Image |
|---|
| MNX_ID | MNXM106923 |
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| reference | chebi:70904 |
| formula | C42H85N2O7P |
| global charge | 0 |
| mol weight | 761.123 |
| InChIKey | RVVUSUSGQSRNIR-XIXQLRCCSA-N |
| InChI | InChI=1S/C42H85N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-41(46)42(47)43-39(37-51-52(48,49)50-36-35-44(4,5)6)40(45)33-30-27-24-22-19-20-23-26-29-32-38(2)3/h30,33,38-41,45-46H,7-29,31-32,34-37H2,1-6H3,(H-,43,47,48,49)/b33-30+/t39-,40+,41?/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C42H85N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-41(46)42(47)43-39(37-51-52(48,49)50-36-35-44(4,5)6)40(45)33-30-27-24-22-19-20-23-26-29-32-38(2)3/h30,33,38-41,45-46H,7-29,31-32,34-37H2,1-6H3,(H-,43,47,48,49)/b33-30+/t39-,40+,41?/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:25][CH2:28][CH2:31][CH2:34][CH:41]([C:42](=[N:43][C@@H:39]([CH2:37][O:51][P:52]([O-:48])(=[O:49])[O:50][CH2:36][CH2:35][N+:44]([CH3:4])([CH3:5])[CH3:6])[C@@H:40](/[CH:33]=[CH:30]/[CH2:27][CH2:24][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:38]([CH3:2])[CH3:3])[OH:45])[OH:47])[OH:46] |
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