PS(DiMe(11,3)/MonoMe(9,5))

Properties Image MNX_ID MNXM160580 reference hmdb:HMDB0061560 formula C45H76NO12P global charge 0 mol weight 854.072 InChIKey RZTACVCZWCEVEA-UHFFFAOYSA-N InChI InChI=1S/C45H76NO12P/c1-6-8-19-25-37-30-34(3)40(56-37)26-20-15-13-14-18-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-17-12-10-9-11-16-21-27-42-36(5)35(4)41(58-42)24-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52) SMILES CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(O)OCC(N)C(=O)O)O1 MNX internals InChI (mnx) InChI=1/C45H76NO12P/c1-6-8-19-25-37-30-34(3)40(56-37)26-20-15-13-14-18-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-17-12-10-9-11-16-21-27-42-36(5)35(4)41(58-42)24-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)/t38?,39? SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:19][CH2:25][C:37]1=[CH:30][C:34]([CH3:3])=[C:40]([CH2:26][CH2:20][CH2:15][CH2:13][CH2:14][CH2:18][CH2:23][CH2:29][C:44](=[O:48])[O:57][CH:38]([CH2:31][O:53][C:43]([CH2:28][CH2:22][CH2:17][CH2:12][CH2:10][CH2:9][CH2:11][CH2:16][CH2:21][CH2:27][C:42]2=[C:36]([CH3:5])[C:35]([CH3:4])=[C:41]([CH2:24][CH2:7][CH3:2])[O:58]2)=[O:47])[CH2:32][O:54][P:59]([OH:51])(=[O:52])[O:55][CH2:33][CH:39]([C:45](=[O:49])[OH:50])[NH2:46])[O:56]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0