CL(i-12:0/18:2(9Z,11Z)/i-12:0/i-13:0)

Properties Image MNX_ID MNXM1110324 reference hmdb:HMDB0080377 formula C64H120O17P2 global charge 0 mol weight 1223.595 InChIKey RZMIBKJNYMYDAU-TYRRIVGCSA-N InChI InChI=1S/C64H120O17P2/c1-8-9-10-11-12-13-14-15-16-17-18-19-22-33-40-47-63(68)80-59(51-74-61(66)45-38-31-26-24-29-36-43-56(4)5)53-78-82(70,71)76-49-58(65)50-77-83(72,73)79-54-60(52-75-62(67)46-39-32-27-25-30-37-44-57(6)7)81-64(69)48-41-34-23-20-21-28-35-42-55(2)3/h13-16,55-60,65H,8-12,17-54H2,1-7H3,(H,70,71)(H,72,73)/b14-13-,16-15-/t58-,59+,60+/m0/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C64H120O17P2/c1-8-9-10-11-12-13-14-15-16-17-18-19-22-33-40-47-63(68)80-59(51-74-61(66)45-38-31-26-24-29-36-43-56(4)5)53-78-82(70,71)76-49-58(65)50-77-83(72,73)79-54-60(52-75-62(67)46-39-32-27-25-30-37-44-57(6)7)81-64(69)48-41-34-23-20-21-28-35-42-55(2)3/h13-16,55-60,65H,8-12,17-54H2,1-7H3,(H,70,71)(H,72,73)/b14-13-,16-15-/t58-,59+,60+/m0/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH:15]=[CH:16]/[CH2:17][CH2:18][CH2:19][CH2:22][CH2:33][CH2:40][CH2:47][C:63](=[O:68])[O:80][C@H:59]([CH2:51][O:74][C:61]([CH2:45][CH2:38][CH2:31][CH2:26][CH2:24][CH2:29][CH2:36][CH2:43][CH:56]([CH3:4])[CH3:5])=[O:66])[CH2:53][O:78][P:82]([OH:70])(=[O:71])[O:76][CH2:49][C@@H:58]([CH2:50][O:77][P:83]([OH:72])(=[O:73])[O:79][CH2:54][C@@H:60]([CH2:52][O:75][C:62]([CH2:46][CH2:39][CH2:32][CH2:27][CH2:25][CH2:30][CH2:37][CH2:44][CH:57]([CH3:6])[CH3:7])=[O:67])[O:81][C:64]([CH2:48][CH2:41][CH2:34][CH2:23][CH2:20][CH2:21][CH2:28][CH2:35][CH2:42][CH:55]([CH3:2])[CH3:3])=[O:69])[OH:65]

Parent-child relations graph

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