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

Properties Image MNX_ID MNXM1109797 reference hmdb:HMDB0077407 formula C77H150O17P2 global charge 0 mol weight 1409.978 InChIKey QASZQHYPRSQWLI-CYYARVSCSA-N InChI InChI=1S/C77H150O17P2/c1-9-68(6)54-46-38-30-24-20-16-12-14-18-22-26-32-43-51-59-76(81)93-72(63-87-74(79)57-49-41-34-28-29-37-45-53-67(4)5)65-91-95(83,84)89-61-71(78)62-90-96(85,86)92-66-73(64-88-75(80)58-50-42-36-35-40-48-56-70(8)11-3)94-77(82)60-52-44-33-27-23-19-15-13-17-21-25-31-39-47-55-69(7)10-2/h67-73,78H,9-66H2,1-8H3,(H,83,84)(H,85,86)/t68?,69?,70?,71-,72-,73-/m1/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC MNX internals InChI (mnx) InChI=1/C77H150O17P2/c1-9-68(6)54-46-38-30-24-20-16-12-14-18-22-26-32-43-51-59-76(81)93-72(63-87-74(79)57-49-41-34-28-29-37-45-53-67(4)5)65-91-95(83,84)89-61-71(78)62-90-96(85,86)92-66-73(64-88-75(80)58-50-42-36-35-40-48-56-70(8)11-3)94-77(82)60-52-44-33-27-23-19-15-13-17-21-25-31-39-47-55-69(7)10-2/h67-73,78H,9-66H2,1-8H3,(H,83,84)(H,85,86)/t68?,69?,70?,71-,72-,73-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:68]([CH3:6])[CH2:54][CH2:46][CH2:38][CH2:30][CH2:24][CH2:20][CH2:16][CH2:12][CH2:14][CH2:18][CH2:22][CH2:26][CH2:32][CH2:43][CH2:51][CH2:59][C:76](=[O:81])[O:93][C@H:72]([CH2:63][O:87][C:74]([CH2:57][CH2:49][CH2:41][CH2:34][CH2:28][CH2:29][CH2:37][CH2:45][CH2:53][CH:67]([CH3:4])[CH3:5])=[O:79])[CH2:65][O:91][P:95]([OH:83])(=[O:84])[O:89][CH2:61][C@H:71]([CH2:62][O:90][P:96]([OH:85])(=[O:86])[O:92][CH2:66][C@@H:73]([CH2:64][O:88][C:75]([CH2:58][CH2:50][CH2:42][CH2:36][CH2:35][CH2:40][CH2:48][CH2:56][CH:70]([CH3:8])[CH2:11][CH3:3])=[O:80])[O:94][C:77]([CH2:60][CH2:52][CH2:44][CH2:33][CH2:27][CH2:23][CH2:19][CH2:15][CH2:13][CH2:17][CH2:21][CH2:25][CH2:31][CH2:39][CH2:47][CH2:55][CH:69]([CH3:7])[CH2:10][CH3:2])=[O:82])[OH:78]

Parent-child relations graph

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