| Properties | Image |
MNX_ID | MNXM343434 |
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reference | slm:000035005 |
formula | C35H60NO8P |
global charge | 0 |
mol weight | 653.838 |
InChIKey | OFPITRHTDIGNTB-CMDQLJFXSA-N |
InChI | InChI=1S/C35H60NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-35(38)44-33(31-41-34(37)27-4-2)32-43-45(39,40)42-30-29-36/h5-6,8-9,11-12,14-15,17-18,33H,3-4,7,10,13,16,19-32,36H2,1-2H3,(H,39,40)/b6-5-,9-8-,12-11-,15-14-,18-17-/t33-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
InChI (mnx) | InChI=1/C35H60NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-35(38)44-33(31-41-34(37)27-4-2)32-43-45(39,40)42-30-29-36/h5-6,8-9,11-12,14-15,17-18,33H,3-4,7,10,13,16,19-32,36H2,1-2H3,(H,39,40)/b6-5-,9-8-,12-11-,15-14-,18-17-/t33-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][C:35](=[O:38])[O:44][C@H:33]([CH2:31][O:41][C:34]([CH2:27][CH2:4][CH3:2])=[O:37])[CH2:32][O:43][P:45]([OH:39])(=[O:40])[O:42][CH2:30][CH2:29][NH2:36] |
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