CL(i-12:0/a-21:0/i-12:0/i-21:0)[rac]

Properties Image MNX_ID MNXM1110670 reference hmdb:HMDB0081694 formula C75H146O17P2 global charge 0 mol weight 1381.924 InChIKey JFSQCBFBYVRECF-VJMMPQDESA-N InChI InChI=1S/C75H146O17P2/c1-9-68(8)54-46-38-28-24-20-16-13-14-18-22-26-30-42-50-58-75(80)92-71(62-86-73(78)56-48-40-34-32-37-45-53-67(6)7)64-90-94(83,84)88-60-69(76)59-87-93(81,82)89-63-70(61-85-72(77)55-47-39-33-31-36-44-52-66(4)5)91-74(79)57-49-41-29-25-21-17-12-10-11-15-19-23-27-35-43-51-65(2)3/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C75H146O17P2/c1-9-68(8)54-46-38-28-24-20-16-13-14-18-22-26-30-42-50-58-75(80)92-71(62-86-73(78)56-48-40-34-32-37-45-53-67(6)7)64-90-94(83,84)88-60-69(76)59-87-93(81,82)89-63-70(61-85-72(77)55-47-39-33-31-36-44-52-66(4)5)91-74(79)57-49-41-29-25-21-17-12-10-11-15-19-23-27-35-43-51-65(2)3/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t68?,69-,70-,71-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:68]([CH3:8])[CH2:54][CH2:46][CH2:38][CH2:28][CH2:24][CH2:20][CH2:16][CH2:13][CH2:14][CH2:18][CH2:22][CH2:26][CH2:30][CH2:42][CH2:50][CH2:58][C:75](=[O:80])[O:92][C@H:71]([CH2:62][O:86][C:73]([CH2:56][CH2:48][CH2:40][CH2:34][CH2:32][CH2:37][CH2:45][CH2:53][CH:67]([CH3:6])[CH3:7])=[O:78])[CH2:64][O:90][P:94]([OH:83])(=[O:84])[O:88][CH2:60][C@@H:69]([CH2:59][O:87][P:93]([OH:81])(=[O:82])[O:89][CH2:63][C@@H:70]([CH2:61][O:85][C:72]([CH2:55][CH2:47][CH2:39][CH2:33][CH2:31][CH2:36][CH2:44][CH2:52][CH:66]([CH3:4])[CH3:5])=[O:77])[O:91][C:74]([CH2:57][CH2:49][CH2:41][CH2:29][CH2:25][CH2:21][CH2:17][CH2:12][CH2:10][CH2:11][CH2:15][CH2:19][CH2:23][CH2:27][CH2:35][CH2:43][CH2:51][CH:65]([CH3:2])[CH3:3])=[O:79])[OH:76]

Parent-child relations graph

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