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

Properties Image MNX_ID MNXM160626 reference hmdb:HMDB0061606 formula C47H80NO12P global charge 0 mol weight 882.126 InChIKey DXRNWWCZCQABKM-UHFFFAOYSA-N InChI InChI=1S/C47H80NO12P/c1-6-8-21-27-39-32-36(3)42(58-39)28-22-17-13-9-11-15-19-24-30-45(49)55-33-40(34-56-61(53,54)57-35-41(48)47(51)52)59-46(50)31-25-20-16-12-10-14-18-23-29-44-38(5)37(4)43(60-44)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54) SMILES CCCCCC1=CC(C)=C(CCCCCCCCCCC(=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/C47H80NO12P/c1-6-8-21-27-39-32-36(3)42(58-39)28-22-17-13-9-11-15-19-24-30-45(49)55-33-40(34-56-61(53,54)57-35-41(48)47(51)52)59-46(50)31-25-20-16-12-10-14-18-23-29-44-38(5)37(4)43(60-44)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)/t40?,41? SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:21][CH2:27][C:39]1=[CH:32][C:36]([CH3:3])=[C:42]([CH2:28][CH2:22][CH2:17][CH2:13][CH2:9][CH2:11][CH2:15][CH2:19][CH2:24][CH2:30][C:45](=[O:49])[O:55][CH2:33][CH:40]([CH2:34][O:56][P:61]([OH:53])(=[O:54])[O:57][CH2:35][CH:41]([C:47](=[O:51])[OH:52])[NH2:48])[O:59][C:46]([CH2:31][CH2:25][CH2:20][CH2:16][CH2:12][CH2:10][CH2:14][CH2:18][CH2:23][CH2:29][C:44]2=[C:38]([CH3:5])[C:37]([CH3:4])=[C:43]([CH2:26][CH2:7][CH3:2])[O:60]2)=[O:50])[O:58]1

Parent-child relations graph

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