PE(DiMe(11,3)/MonoMe(11,5))

Properties Image MNX_ID MNXM159320 reference hmdb:HMDB0061477 formula C46H80NO10P global charge 0 mol weight 838.117 InChIKey AHCHXAGVCWXTHZ-VQJSHJPSSA-N InChI InChI=1S/C46H80NO10P/c1-6-8-21-27-40-34-37(3)42(55-40)28-22-17-13-9-12-16-20-25-31-46(49)56-41(36-54-58(50,51)53-33-32-47)35-52-45(48)30-24-19-15-11-10-14-18-23-29-44-39(5)38(4)43(57-44)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1 SMILES CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(O)OCCN)O1 MNX internals InChI (mnx) InChI=1/C46H80NO10P/c1-6-8-21-27-40-34-37(3)42(55-40)28-22-17-13-9-12-16-20-25-31-46(49)56-41(36-54-58(50,51)53-33-32-47)35-52-45(48)30-24-19-15-11-10-14-18-23-29-44-39(5)38(4)43(57-44)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:21][CH2:27][C:40]1=[CH:34][C:37]([CH3:3])=[C:42]([CH2:28][CH2:22][CH2:17][CH2:13][CH2:9][CH2:12][CH2:16][CH2:20][CH2:25][CH2:31][C:46](=[O:49])[O:56][C@H:41]([CH2:35][O:52][C:45]([CH2:30][CH2:24][CH2:19][CH2:15][CH2:11][CH2:10][CH2:14][CH2:18][CH2:23][CH2:29][C:44]2=[C:39]([CH3:5])[C:38]([CH3:4])=[C:43]([CH2:26][CH2:7][CH3:2])[O:57]2)=[O:48])[CH2:36][O:54][P:58]([OH:50])(=[O:51])[O:53][CH2:33][CH2:32][NH2:47])[O:55]1

Parent-child relations graph

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