CL(a-13:0/i-19:0/i-12:0/i-16:0)[rac]

Properties Image MNX_ID MNXM1109230 reference hmdb:HMDB0075946 formula C69H134O17P2 global charge 0 mol weight 1297.762 InChIKey LCSUILWVEFKWRF-HSOQKSLCSA-N InChI InChI=1S/C69H134O17P2/c1-9-62(8)48-40-32-26-28-34-42-50-67(72)80-56-65(86-68(73)51-43-35-23-19-14-12-10-11-13-17-21-29-37-45-59(2)3)58-84-88(77,78)82-54-63(70)53-81-87(75,76)83-57-64(55-79-66(71)49-41-33-27-25-31-39-47-61(6)7)85-69(74)52-44-36-24-20-16-15-18-22-30-38-46-60(4)5/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t62?,63-,64-,65-/m1/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)C)OC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C69H134O17P2/c1-9-62(8)48-40-32-26-28-34-42-50-67(72)80-56-65(86-68(73)51-43-35-23-19-14-12-10-11-13-17-21-29-37-45-59(2)3)58-84-88(77,78)82-54-63(70)53-81-87(75,76)83-57-64(55-79-66(71)49-41-33-27-25-31-39-47-61(6)7)85-69(74)52-44-36-24-20-16-15-18-22-30-38-46-60(4)5/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t62?,63-,64-,65-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:62]([CH3:8])[CH2:48][CH2:40][CH2:32][CH2:26][CH2:28][CH2:34][CH2:42][CH2:50][C:67](=[O:72])[O:80][CH2:56][C@H:65]([CH2:58][O:84][P:88]([OH:77])(=[O:78])[O:82][CH2:54][C@@H:63]([CH2:53][O:81][P:87]([OH:75])(=[O:76])[O:83][CH2:57][C@@H:64]([CH2:55][O:79][C:66]([CH2:49][CH2:41][CH2:33][CH2:27][CH2:25][CH2:31][CH2:39][CH2:47][CH:61]([CH3:6])[CH3:7])=[O:71])[O:85][C:69]([CH2:52][CH2:44][CH2:36][CH2:24][CH2:20][CH2:16][CH2:15][CH2:18][CH2:22][CH2:30][CH2:38][CH2:46][CH:60]([CH3:4])[CH3:5])=[O:74])[OH:70])[O:86][C:68]([CH2:51][CH2:43][CH2:35][CH2:23][CH2:19][CH2:14][CH2:12][CH2:10][CH2:11][CH2:13][CH2:17][CH2:21][CH2:29][CH2:37][CH2:45][CH:59]([CH3:2])[CH3:3])=[O:73]

Parent-child relations graph

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