CL(i-13:0/a-25:0/i-12:0/i-14:0)[rac]

Properties Image MNX_ID MNXM1108984 reference hmdb:HMDB0074947 formula C73H142O17P2 global charge 0 mol weight 1353.87 InChIKey AEEIFEGREOXNEW-ADOBSLNNSA-N InChI InChI=1S/C73H142O17P2/c1-9-66(8)52-44-36-27-20-18-16-14-12-10-11-13-15-17-19-21-28-39-47-55-72(77)89-68(59-83-70(75)53-45-37-30-24-26-34-42-50-64(4)5)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-35-43-51-65(6)7)90-73(78)56-48-40-29-23-22-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68+,69+/m0/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCCCCCC(=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)C)OC(=O)CCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C73H142O17P2/c1-9-66(8)52-44-36-27-20-18-16-14-12-10-11-13-15-17-19-21-28-39-47-55-72(77)89-68(59-83-70(75)53-45-37-30-24-26-34-42-50-64(4)5)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(60-84-71(76)54-46-38-32-31-35-43-51-65(6)7)90-73(78)56-48-40-29-23-22-25-33-41-49-63(2)3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t66?,67-,68+,69+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:66]([CH3:8])[CH2:52][CH2:44][CH2:36][CH2:27][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:28][CH2:39][CH2:47][CH2:55][C:72](=[O:77])[O:89][C@H:68]([CH2:59][O:83][C:70]([CH2:53][CH2:45][CH2:37][CH2:30][CH2:24][CH2:26][CH2:34][CH2:42][CH2:50][CH:64]([CH3:4])[CH3:5])=[O:75])[CH2:61][O:87][P:91]([OH:79])(=[O:80])[O:85][CH2:57][C@@H:67]([CH2:58][O:86][P:92]([OH:81])(=[O:82])[O:88][CH2:62][C@@H:69]([CH2:60][O:84][C:71]([CH2:54][CH2:46][CH2:38][CH2:32][CH2:31][CH2:35][CH2:43][CH2:51][CH:65]([CH3:6])[CH3:7])=[O:76])[O:90][C:73]([CH2:56][CH2:48][CH2:40][CH2:29][CH2:23][CH2:22][CH2:25][CH2:33][CH2:41][CH2:49][CH:63]([CH3:2])[CH3:3])=[O:78])[OH:74]

Parent-child relations graph

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