CL(a-13:0/i-15:0/i-14:0/i-12:0)[rac]

Properties Image MNX_ID MNXM1109183 reference hmdb:HMDB0086023 formula C63H122O17P2 global charge 0 mol weight 1213.6 InChIKey PGYGLBVEFWENPX-ZZKAMXMPSA-N InChI InChI=1S/C63H122O17P2/c1-9-56(8)42-34-26-20-22-28-36-44-61(66)74-50-58(79-62(67)45-37-29-18-12-10-11-15-23-31-39-53(2)3)51-77-81(69,70)75-47-57(64)48-76-82(71,72)78-52-59(80-63(68)46-38-30-21-19-25-33-41-55(6)7)49-73-60(65)43-35-27-17-14-13-16-24-32-40-54(4)5/h53-59,64H,9-52H2,1-8H3,(H,69,70)(H,71,72)/t56?,57-,58+,59+/m0/s1 SMILES CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C63H122O17P2/c1-9-56(8)42-34-26-20-22-28-36-44-61(66)74-50-58(79-62(67)45-37-29-18-12-10-11-15-23-31-39-53(2)3)51-77-81(69,70)75-47-57(64)48-76-82(71,72)78-52-59(80-63(68)46-38-30-21-19-25-33-41-55(6)7)49-73-60(65)43-35-27-17-14-13-16-24-32-40-54(4)5/h53-59,64H,9-52H2,1-8H3,(H,69,70)(H,71,72)/t56?,57-,58+,59+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:56]([CH3:8])[CH2:42][CH2:34][CH2:26][CH2:20][CH2:22][CH2:28][CH2:36][CH2:44][C:61](=[O:66])[O:74][CH2:50][C@H:58]([CH2:51][O:77][P:81]([OH:69])(=[O:70])[O:75][CH2:47][C@@H:57]([CH2:48][O:76][P:82]([OH:71])(=[O:72])[O:78][CH2:52][C@@H:59]([CH2:49][O:73][C:60]([CH2:43][CH2:35][CH2:27][CH2:17][CH2:14][CH2:13][CH2:16][CH2:24][CH2:32][CH2:40][CH:54]([CH3:4])[CH3:5])=[O:65])[O:80][C:63]([CH2:46][CH2:38][CH2:30][CH2:21][CH2:19][CH2:25][CH2:33][CH2:41][CH:55]([CH3:6])[CH3:7])=[O:68])[OH:64])[O:79][C:62]([CH2:45][CH2:37][CH2:29][CH2:18][CH2:12][CH2:10][CH2:11][CH2:15][CH2:23][CH2:31][CH2:39][CH:53]([CH3:2])[CH3:3])=[O:67]

Parent-child relations graph

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