| Properties | Image |
MNX_ID | MNXM320834 |
 |
reference | slm:000005042 |
formula | C34H59NO10P |
global charge | -1 |
mol weight | 672.817 |
InChIKey | CQQCNKTUYILEKC-OHRKKQFQSA-M |
InChI | InChI=1S/C34H60NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-19-10-8-6-4-2/h5,7,11-12,14-15,30-31H,3-4,6,8-10,13,16-29,35H2,1-2H3,(H,38,39)(H,40,41)/p-1/b7-5-,12-11-,15-14-/t30-,31+/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C34H60NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-19-10-8-6-4-2/h5,7,11-12,14-15,30-31H,3-4,6,8-10,13,16-29,35H2,1-2H3,(H,38,39)(H,40,41)/b7-5-,12-11-,15-14-/t30-,31+/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][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][C:32](=[O:36])[O:42][CH2:27][C@H:30]([CH2:28][O:43][P:46]([OH:40])(=[O:41])[O:44][CH2:29][C@@H:31]([C:34](=[O:38])[OH:39])[NH2:35])[O:45][C:33]([CH2:26][CH2:24][CH2:22][CH2:19][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:37] |
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