CL(i-13:0/a-13:0/a-13:0/a-17:0)[rac]

Properties Image MNX_ID MNXM1110133 reference hmdb:HMDB0084006 formula C65H126O17P2 global charge 0 mol weight 1241.654 InChIKey XKJANUIPUOVIKU-VGWOJTCDSA-N InChI InChI=1S/C65H126O17P2/c1-9-56(6)42-34-26-18-14-12-13-15-19-31-39-47-64(69)81-60(52-76-63(68)46-38-30-23-21-27-35-43-57(7)10-2)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(82-65(70)48-40-32-24-22-28-36-44-58(8)11-3)51-75-62(67)45-37-29-20-16-17-25-33-41-55(4)5/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t56?,57?,58?,59-,60-,61-/m1/s1 SMILES CCC(C)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC MNX internals InChI (mnx) InChI=1/C65H126O17P2/c1-9-56(6)42-34-26-18-14-12-13-15-19-31-39-47-64(69)81-60(52-76-63(68)46-38-30-23-21-27-35-43-57(7)10-2)53-79-83(71,72)77-49-59(66)50-78-84(73,74)80-54-61(82-65(70)48-40-32-24-22-28-36-44-58(8)11-3)51-75-62(67)45-37-29-20-16-17-25-33-41-55(4)5/h55-61,66H,9-54H2,1-8H3,(H,71,72)(H,73,74)/t56?,57?,58?,59-,60-,61-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:56]([CH3:6])[CH2:42][CH2:34][CH2:26][CH2:18][CH2:14][CH2:12][CH2:13][CH2:15][CH2:19][CH2:31][CH2:39][CH2:47][C:64](=[O:69])[O:81][C@H:60]([CH2:52][O:76][C:63]([CH2:46][CH2:38][CH2:30][CH2:23][CH2:21][CH2:27][CH2:35][CH2:43][CH:57]([CH3:7])[CH2:10][CH3:2])=[O:68])[CH2:53][O:79][P:83]([OH:71])(=[O:72])[O:77][CH2:49][C@H:59]([CH2:50][O:78][P:84]([OH:73])(=[O:74])[O:80][CH2:54][C@@H:61]([CH2:51][O:75][C:62]([CH2:45][CH2:37][CH2:29][CH2:20][CH2:16][CH2:17][CH2:25][CH2:33][CH2:41][CH:55]([CH3:4])[CH3:5])=[O:67])[O:82][C:65]([CH2:48][CH2:40][CH2:32][CH2:24][CH2:22][CH2:28][CH2:36][CH2:44][CH:58]([CH3:8])[CH2:11][CH3:3])=[O:70])[OH:66]

Parent-child relations graph

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