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

Properties Image MNX_ID MNXM1110930 reference hmdb:HMDB0084094 formula C62H120O17P2 global charge 0 mol weight 1199.573 InChIKey PMZSOVMYFOAKFF-TYRFVPGNSA-N InChI InChI=1S/C62H120O17P2/c1-9-53(6)39-31-23-16-19-27-35-43-60(65)73-49-58(79-62(67)45-37-29-21-18-25-33-41-55(8)11-3)51-77-81(70,71)75-47-56(63)46-74-80(68,69)76-50-57(78-61(66)44-36-28-20-17-24-32-40-54(7)10-2)48-72-59(64)42-34-26-15-13-12-14-22-30-38-52(4)5/h52-58,63H,9-51H2,1-8H3,(H,68,69)(H,70,71)/t53?,54?,55?,56-,57-,58-/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)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC MNX internals InChI (mnx) InChI=1/C62H120O17P2/c1-9-53(6)39-31-23-16-19-27-35-43-60(65)73-49-58(79-62(67)45-37-29-21-18-25-33-41-55(8)11-3)51-77-81(70,71)75-47-56(63)46-74-80(68,69)76-50-57(78-61(66)44-36-28-20-17-24-32-40-54(7)10-2)48-72-59(64)42-34-26-15-13-12-14-22-30-38-52(4)5/h52-58,63H,9-51H2,1-8H3,(H,68,69)(H,70,71)/t53?,54?,55?,56-,57-,58-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:53]([CH3:6])[CH2:39][CH2:31][CH2:23][CH2:16][CH2:19][CH2:27][CH2:35][CH2:43][C:60](=[O:65])[O:73][CH2:49][C@H:58]([CH2:51][O:77][P:81]([OH:70])(=[O:71])[O:75][CH2:47][C@@H:56]([CH2:46][O:74][P:80]([OH:68])(=[O:69])[O:76][CH2:50][C@@H:57]([CH2:48][O:72][C:59]([CH2:42][CH2:34][CH2:26][CH2:15][CH2:13][CH2:12][CH2:14][CH2:22][CH2:30][CH2:38][CH:52]([CH3:4])[CH3:5])=[O:64])[O:78][C:61]([CH2:44][CH2:36][CH2:28][CH2:20][CH2:17][CH2:24][CH2:32][CH2:40][CH:54]([CH3:7])[CH2:10][CH3:2])=[O:66])[OH:63])[O:79][C:62]([CH2:45][CH2:37][CH2:29][CH2:21][CH2:18][CH2:25][CH2:33][CH2:41][CH:55]([CH3:8])[CH2:11][CH3:3])=[O:67]

Parent-child relations graph

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