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

Properties Image MNX_ID MNXM1111221 reference hmdb:HMDB0090506 formula C59H114O17P2 global charge 0 mol weight 1157.492 InChIKey FRVCGDFAGFPDIX-GKVAWLBDSA-N InChI InChI=1S/C59H114O17P2/c1-9-52(8)38-30-22-15-18-24-32-40-57(62)70-45-54(75-58(63)41-33-25-12-10-11-19-27-35-49(2)3)47-73-77(65,66)71-43-53(60)44-72-78(67,68)74-48-55(76-59(64)42-34-26-17-14-21-29-37-51(6)7)46-69-56(61)39-31-23-16-13-20-28-36-50(4)5/h49-55,60H,9-48H2,1-8H3,(H,65,66)(H,67,68)/t52?,53-,54+,55+/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)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C59H114O17P2/c1-9-52(8)38-30-22-15-18-24-32-40-57(62)70-45-54(75-58(63)41-33-25-12-10-11-19-27-35-49(2)3)47-73-77(65,66)71-43-53(60)44-72-78(67,68)74-48-55(76-59(64)42-34-26-17-14-21-29-37-51(6)7)46-69-56(61)39-31-23-16-13-20-28-36-50(4)5/h49-55,60H,9-48H2,1-8H3,(H,65,66)(H,67,68)/t52?,53-,54+,55+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:52]([CH3:8])[CH2:38][CH2:30][CH2:22][CH2:15][CH2:18][CH2:24][CH2:32][CH2:40][C:57](=[O:62])[O:70][CH2:45][C@H:54]([CH2:47][O:73][P:77]([OH:65])(=[O:66])[O:71][CH2:43][C@@H:53]([CH2:44][O:72][P:78]([OH:67])(=[O:68])[O:74][CH2:48][C@@H:55]([CH2:46][O:69][C:56]([CH2:39][CH2:31][CH2:23][CH2:16][CH2:13][CH2:20][CH2:28][CH2:36][CH:50]([CH3:4])[CH3:5])=[O:61])[O:76][C:59]([CH2:42][CH2:34][CH2:26][CH2:17][CH2:14][CH2:21][CH2:29][CH2:37][CH:51]([CH3:6])[CH3:7])=[O:64])[OH:60])[O:75][C:58]([CH2:41][CH2:33][CH2:25][CH2:12][CH2:10][CH2:11][CH2:19][CH2:27][CH2:35][CH:49]([CH3:2])[CH3:3])=[O:63]

Parent-child relations graph

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