CL(a-13:0/i-21:0/a-13:0/i-19:0)[rac]

Properties Image MNX_ID MNXM1109345 reference hmdb:HMDB0077385 formula C75H146O17P2 global charge 0 mol weight 1381.924 InChIKey ATINULDBAFLPJP-HRKOTARISA-N InChI InChI=1S/C75H146O17P2/c1-9-67(7)53-45-37-31-33-39-47-55-72(77)85-61-70(91-74(79)57-49-41-29-25-21-17-13-11-12-15-19-23-27-35-43-51-65(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-32-38-46-54-68(8)10-2)92-75(80)58-50-42-30-26-22-18-14-16-20-24-28-36-44-52-66(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70+,71+/m0/s1 SMILES CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C75H146O17P2/c1-9-67(7)53-45-37-31-33-39-47-55-72(77)85-61-70(91-74(79)57-49-41-29-25-21-17-13-11-12-15-19-23-27-35-43-51-65(3)4)63-89-93(81,82)87-59-69(76)60-88-94(83,84)90-64-71(62-86-73(78)56-48-40-34-32-38-46-54-68(8)10-2)92-75(80)58-50-42-30-26-22-18-14-16-20-24-28-36-44-52-66(5)6/h65-71,76H,9-64H2,1-8H3,(H,81,82)(H,83,84)/t67?,68?,69-,70+,71+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:67]([CH3:7])[CH2:53][CH2:45][CH2:37][CH2:31][CH2:33][CH2:39][CH2:47][CH2:55][C:72](=[O:77])[O:85][CH2:61][C@H:70]([CH2:63][O:89][P:93]([OH:81])(=[O:82])[O:87][CH2:59][C@@H:69]([CH2:60][O:88][P:94]([OH:83])(=[O:84])[O:90][CH2:64][C@@H:71]([CH2:62][O:86][C:73]([CH2:56][CH2:48][CH2:40][CH2:34][CH2:32][CH2:38][CH2:46][CH2:54][CH:68]([CH3:8])[CH2:10][CH3:2])=[O:78])[O:92][C:75]([CH2:58][CH2:50][CH2:42][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:16][CH2:20][CH2:24][CH2:28][CH2:36][CH2:44][CH2:52][CH:66]([CH3:5])[CH3:6])=[O:80])[OH:76])[O:91][C:74]([CH2:57][CH2:49][CH2:41][CH2:29][CH2:25][CH2:21][CH2:17][CH2:13][CH2:11][CH2:12][CH2:15][CH2:19][CH2:23][CH2:27][CH2:35][CH2:43][CH2:51][CH:65]([CH3:3])[CH3:4])=[O:79]

Parent-child relations graph

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