| Properties | Image |
MNX_ID | MNXM345309 |
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reference | slm:000005585 |
formula | C36H59NO10P |
global charge | -1 |
mol weight | 696.839 |
InChIKey | LTLRWMXHAGEONM-IEQUGOCCSA-M |
InChI | InChI=1S/C36H60NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-10-8-6-4-2/h5,7,11-12,14-15,17-18,20,22,32-33H,3-4,6,8-10,13,16,19,21,23-31,37H2,1-2H3,(H,40,41)(H,42,43)/p-1/b7-5-,12-11-,15-14-,18-17-,22-20-/t32-,33+/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
InChI (mnx) | InChI=1/C36H60NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-35(39)47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-10-8-6-4-2/h5,7,11-12,14-15,17-18,20,22,32-33H,3-4,6,8-10,13,16,19,21,23-31,37H2,1-2H3,(H,40,41)(H,42,43)/b7-5-,12-11-,15-14-,18-17-,22-20-/t32-,33+/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][C:35](=[O:39])[O:47][C@H:32]([CH2:29][O:44][C:34]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:38])[CH2:30][O:45][P:48]([OH:42])(=[O:43])[O:46][CH2:31][C@@H:33]([C:36](=[O:40])[OH:41])[NH2:37] |
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