CL(i-12:0/a-25:0/a-13:0/i-13:0)[rac]

Properties Image MNX_ID MNXM1111556 reference hmdb:HMDB0089558 formula C72H140O17P2 global charge 0 mol weight 1339.843 InChIKey PPRTVVANGUSXDV-VYKAVAACSA-N InChI InChI=1S/C72H140O17P2/c1-9-64(7)50-42-34-25-21-19-17-15-13-11-12-14-16-18-20-22-26-38-46-54-71(76)88-67(58-82-69(74)52-44-36-30-28-33-41-49-63(5)6)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(89-72(77)55-47-39-27-23-24-32-40-48-62(3)4)59-83-70(75)53-45-37-31-29-35-43-51-65(8)10-2/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67+,68+/m0/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCCCCCC(=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)CC)OC(=O)CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C72H140O17P2/c1-9-64(7)50-42-34-25-21-19-17-15-13-11-12-14-16-18-20-22-26-38-46-54-71(76)88-67(58-82-69(74)52-44-36-30-28-33-41-49-63(5)6)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(89-72(77)55-47-39-27-23-24-32-40-48-62(3)4)59-83-70(75)53-45-37-31-29-35-43-51-65(8)10-2/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67+,68+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:64]([CH3:7])[CH2:50][CH2:42][CH2:34][CH2:25][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:26][CH2:38][CH2:46][CH2:54][C:71](=[O:76])[O:88][C@H:67]([CH2:58][O:82][C:69]([CH2:52][CH2:44][CH2:36][CH2:30][CH2:28][CH2:33][CH2:41][CH2:49][CH:63]([CH3:5])[CH3:6])=[O:74])[CH2:60][O:86][P:90]([OH:78])(=[O:79])[O:84][CH2:56][C@@H:66]([CH2:57][O:85][P:91]([OH:80])(=[O:81])[O:87][CH2:61][C@@H:68]([CH2:59][O:83][C:70]([CH2:53][CH2:45][CH2:37][CH2:31][CH2:29][CH2:35][CH2:43][CH2:51][CH:65]([CH3:8])[CH2:10][CH3:2])=[O:75])[O:89][C:72]([CH2:55][CH2:47][CH2:39][CH2:27][CH2:23][CH2:24][CH2:32][CH2:40][CH2:48][CH:62]([CH3:3])[CH3:4])=[O:77])[OH:73]

Parent-child relations graph

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