| Properties | Image |
MNX_ID | MNXM342723 |
 |
reference | slm:000034960 |
formula | C31H52NO8P |
global charge | 0 |
mol weight | 597.73 |
InChIKey | ZUNVYUUIVYORNS-HHJRFCGLSA-N |
InChI | InChI=1S/C31H52NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(34)40-30(27-37-29(2)33)28-39-41(35,36)38-26-25-32/h7-8,10-11,13-14,16-17,19-20,30H,3-6,9,12,15,18,21-28,32H2,1-2H3,(H,35,36)/b8-7-,11-10-,14-13-,17-16-,20-19-/t30-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OCC[NH3+] |
MNX internals
InChI (mnx) | InChI=1/C31H52NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(34)40-30(27-37-29(2)33)28-39-41(35,36)38-26-25-32/h7-8,10-11,13-14,16-17,19-20,30H,3-6,9,12,15,18,21-28,32H2,1-2H3,(H,35,36)/b8-7-,11-10-,14-13-,17-16-,20-19-/t30-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][C:31](=[O:34])[O:40][C@H:30]([CH2:27][O:37][C:29]([CH3:2])=[O:33])[CH2:28][O:39][P:41]([OH:35])(=[O:36])[O:38][CH2:26][CH2:25][NH2:32] |
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