| Properties | Image |
MNX_ID | MNXM213718 |
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reference | slm:000037644 |
formula | C37H70O10P |
global charge | -1 |
mol weight | 705.931 |
InChIKey | YXRIXWXWPNYRKB-PJNUMXPGSA-M |
InChI | InChI=1S/C37H71O10P/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-37(41)47-35(32-46-48(42,43)45-30-34(39)29-38)31-44-36(40)27-24-21-18-16-13-14-17-20-23-26-33(2)3/h12,15,33-35,38-39H,4-11,13-14,16-32H2,1-3H3,(H,42,43)/p-1/b15-12-/t34-,35+/m0/s1 |
SMILES | CCCCCCCCC/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)CO |
MNX internals
InChI (mnx) | InChI=1/C37H71O10P/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-37(41)47-35(32-46-48(42,43)45-30-34(39)29-38)31-44-36(40)27-24-21-18-16-13-14-17-20-23-26-33(2)3/h12,15,33-35,38-39H,4-11,13-14,16-32H2,1-3H3,(H,42,43)/b15-12-/t34-,35+/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]/[CH:12]=[CH:15]\[CH2:19][CH2:22][CH2:25][CH2:28][C:37](=[O:41])[O:47][C@H:35]([CH2:31][O:44][C:36]([CH2:27][CH2:24][CH2:21][CH2:18][CH2:16][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH:33]([CH3:2])[CH3:3])=[O:40])[CH2:32][O:46][P:48]([OH:42])(=[O:43])[O:45][CH2:30][C@H:34]([CH2:29][OH:38])[OH:39] |
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