| Properties | Image |
MNX_ID | MNXM71282 |
 |
reference | slm:000034824 |
formula | C31H60NO8P |
global charge | 0 |
mol weight | 605.794 |
InChIKey | LXOOXAZBAFTBOJ-HQGHLRICSA-N |
InChI | InChI=1S/C31H60NO8P/c1-3-5-7-9-11-13-14-16-17-19-21-23-30(33)37-27-29(28-39-41(35,36)38-26-25-32)40-31(34)24-22-20-18-15-12-10-8-6-4-2/h9,11,29H,3-8,10,12-28,32H2,1-2H3,(H,35,36)/b11-9-/t29-/m1/s1 |
SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C31H60NO8P/c1-3-5-7-9-11-13-14-16-17-19-21-23-30(33)37-27-29(28-39-41(35,36)38-26-25-32)40-31(34)24-22-20-18-15-12-10-8-6-4-2/h9,11,29H,3-8,10,12-28,32H2,1-2H3,(H,35,36)/b11-9-/t29-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13][CH2:14][CH2:16][CH2:17][CH2:19][CH2:21][CH2:23][C:30](=[O:33])[O:37][CH2:27][C@H:29]([CH2:28][O:39][P:41]([OH:35])(=[O:36])[O:38][CH2:26][CH2:25][NH2:32])[O:40][C:31]([CH2:24][CH2:22][CH2:20][CH2:18][CH2:15][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:34] |
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