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

Properties Image MNX_ID MNXM160608 reference hmdb:HMDB0061588 formula C46H78NO12P global charge 0 mol weight 868.099 InChIKey ZVMADSJBDFWPSG-UHFFFAOYSA-N InChI InChI=1S/C46H78NO12P/c1-7-9-20-26-41-36(5)37(6)43(59-41)28-22-17-14-15-18-23-29-44(48)54-31-38(32-55-60(52,53)56-33-39(47)46(50)51)57-45(49)30-24-19-13-11-10-12-16-21-27-42-35(4)34(3)40(58-42)25-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53) SMILES CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1 MNX internals InChI (mnx) InChI=1/C46H78NO12P/c1-7-9-20-26-41-36(5)37(6)43(59-41)28-22-17-14-15-18-23-29-44(48)54-31-38(32-55-60(52,53)56-33-39(47)46(50)51)57-45(49)30-24-19-13-11-10-12-16-21-27-42-35(4)34(3)40(58-42)25-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53)/t38?,39? SMILES (mnx) [CH3:1][CH2:7][CH2:9][CH2:20][CH2:26][C:41]1=[C:36]([CH3:5])[C:37]([CH3:6])=[C:43]([CH2:28][CH2:22][CH2:17][CH2:14][CH2:15][CH2:18][CH2:23][CH2:29][C:44](=[O:48])[O:54][CH2:31][CH:38]([CH2:32][O:55][P:60]([OH:52])(=[O:53])[O:56][CH2:33][CH:39]([C:46](=[O:50])[OH:51])[NH2:47])[O:57][C:45]([CH2:30][CH2:24][CH2:19][CH2:13][CH2:11][CH2:10][CH2:12][CH2:16][CH2:21][CH2:27][C:42]2=[C:35]([CH3:4])[C:34]([CH3:3])=[C:40]([CH2:25][CH2:8][CH3:2])[O:58]2)=[O:49])[O:59]1

Parent-child relations graph

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