CL(i-14:0/i-15:0/a-13:0/a-25:0)[rac]

Properties Image MNX_ID MNXM1109135 reference hmdb:HMDB0091700 formula C76H148O17P2 global charge 0 mol weight 1395.951 InChIKey VEMIVMMADRQKFU-DXUSNICOSA-N InChI InChI=1S/C76H148O17P2/c1-9-68(7)54-46-38-30-23-19-17-15-13-11-12-14-16-18-20-24-32-42-50-58-75(80)93-72(63-87-74(79)57-49-41-35-34-39-47-55-69(8)10-2)65-91-95(84,85)89-61-70(77)60-88-94(82,83)90-64-71(62-86-73(78)56-48-40-31-27-26-29-37-45-53-67(5)6)92-76(81)59-51-43-33-25-21-22-28-36-44-52-66(3)4/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t68?,69?,70-,71+,72+/m0/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C76H148O17P2/c1-9-68(7)54-46-38-30-23-19-17-15-13-11-12-14-16-18-20-24-32-42-50-58-75(80)93-72(63-87-74(79)57-49-41-35-34-39-47-55-69(8)10-2)65-91-95(84,85)89-61-70(77)60-88-94(82,83)90-64-71(62-86-73(78)56-48-40-31-27-26-29-37-45-53-67(5)6)92-76(81)59-51-43-33-25-21-22-28-36-44-52-66(3)4/h66-72,77H,9-65H2,1-8H3,(H,82,83)(H,84,85)/t68?,69?,70-,71+,72+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:68]([CH3:7])[CH2:54][CH2:46][CH2:38][CH2:30][CH2:23][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:24][CH2:32][CH2:42][CH2:50][CH2:58][C:75](=[O:80])[O:93][C@H:72]([CH2:63][O:87][C:74]([CH2:57][CH2:49][CH2:41][CH2:35][CH2:34][CH2:39][CH2:47][CH2:55][CH:69]([CH3:8])[CH2:10][CH3:2])=[O:79])[CH2:65][O:91][P:95]([OH:84])(=[O:85])[O:89][CH2:61][C@H:70]([CH2:60][O:88][P:94]([OH:82])(=[O:83])[O:90][CH2:64][C@@H:71]([CH2:62][O:86][C:73]([CH2:56][CH2:48][CH2:40][CH2:31][CH2:27][CH2:26][CH2:29][CH2:37][CH2:45][CH2:53][CH:67]([CH3:5])[CH3:6])=[O:78])[O:92][C:76]([CH2:59][CH2:51][CH2:43][CH2:33][CH2:25][CH2:21][CH2:22][CH2:28][CH2:36][CH2:44][CH2:52][CH:66]([CH3:3])[CH3:4])=[O:81])[OH:77]

Parent-child relations graph

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