| Properties | Image |
MNX_ID | MNXM192780 |
 |
reference | slm:000001572 |
formula | C32H59NO10P |
global charge | -1 |
mol weight | 648.795 |
InChIKey | WSMJIHPEYDIPEN-QDRJUFJZSA-M |
InChI | InChI=1S/C32H60NO10P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-21-23-30(34)40-25-28(43-31(35)24-22-19-8-6-4-2)26-41-44(38,39)42-27-29(33)32(36)37/h11-12,28-29H,3-10,13-27,33H2,1-2H3,(H,36,37)(H,38,39)/p-1/b12-11+/t28-,29+/m1/s1 |
SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C32H60NO10P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-21-23-30(34)40-25-28(43-31(35)24-22-19-8-6-4-2)26-41-44(38,39)42-27-29(33)32(36)37/h11-12,28-29H,3-10,13-27,33H2,1-2H3,(H,36,37)(H,38,39)/b12-11+/t28-,29+/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10]/[CH:11]=[CH:12]/[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][C:30](=[O:34])[O:40][CH2:25][C@H:28]([CH2:26][O:41][P:44]([OH:38])(=[O:39])[O:42][CH2:27][C@@H:29]([C:32](=[O:36])[OH:37])[NH2:33])[O:43][C:31]([CH2:24][CH2:22][CH2:19][CH2:8][CH2:6][CH2:4][CH3:2])=[O:35] |
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