| Properties | Image |
MNX_ID | MNXM952860 |
 |
reference | slm:000645245 |
formula | C35H63NO9P |
global charge | -1 |
mol weight | 672.861 |
InChIKey | RHDGKOJVRLVTTI-MPKUHQCFSA-M |
InChI | InChI=1S/C35H64NO9P/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27-35(39)42-30-33(45-32(3)37)31-44-46(40,41)43-29-28-36-34(38)26-24-22-9-7-5-2/h11-12,14-15,33H,4-10,13,16-31H2,1-3H3,(H,36,38)(H,40,41)/p-1/b12-11-,15-14-/t33-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(C)=O |
MNX internals
InChI (mnx) | InChI=1/C35H64NO9P/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27-35(39)42-30-33(45-32(3)37)31-44-46(40,41)43-29-28-36-34(38)26-24-22-9-7-5-2/h11-12,14-15,33H,4-10,13,16-31H2,1-3H3,(H,36,38)(H,40,41)/b12-11-,15-14-/t33-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][C:35](=[O:39])[O:42][CH2:30][C@H:33]([CH2:31][O:44][P:46]([OH:40])(=[O:41])[O:43][CH2:29][CH2:28][N:36]=[C:34]([CH2:26][CH2:24][CH2:22][CH2:9][CH2:7][CH2:5][CH3:2])[OH:38])[O:45][C:32]([CH3:3])=[O:37] |
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