CL(i-12:0/i-17:0/i-12:0/a-21:0)[rac]

Properties Image MNX_ID MNXM1110667 reference hmdb:HMDB0088424 formula C71H138O17P2 global charge 0 mol weight 1325.816 InChIKey SVBZINBKPAAZML-OGILQYNYSA-N InChI InChI=1S/C71H138O17P2/c1-9-64(8)50-42-34-24-20-16-12-10-11-13-17-21-25-37-45-53-70(75)87-66(57-81-68(73)51-43-35-29-27-32-40-48-62(4)5)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-28-33-41-49-63(6)7)88-71(76)54-46-38-26-22-18-14-15-19-23-31-39-47-61(2)3/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t64?,65-,66-,67-/m1/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C71H138O17P2/c1-9-64(8)50-42-34-24-20-16-12-10-11-13-17-21-25-37-45-53-70(75)87-66(57-81-68(73)51-43-35-29-27-32-40-48-62(4)5)59-85-89(77,78)83-55-65(72)56-84-90(79,80)86-60-67(58-82-69(74)52-44-36-30-28-33-41-49-63(6)7)88-71(76)54-46-38-26-22-18-14-15-19-23-31-39-47-61(2)3/h61-67,72H,9-60H2,1-8H3,(H,77,78)(H,79,80)/t64?,65-,66-,67-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:64]([CH3:8])[CH2:50][CH2:42][CH2:34][CH2:24][CH2:20][CH2:16][CH2:12][CH2:10][CH2:11][CH2:13][CH2:17][CH2:21][CH2:25][CH2:37][CH2:45][CH2:53][C:70](=[O:75])[O:87][C@H:66]([CH2:57][O:81][C:68]([CH2:51][CH2:43][CH2:35][CH2:29][CH2:27][CH2:32][CH2:40][CH2:48][CH:62]([CH3:4])[CH3:5])=[O:73])[CH2:59][O:85][P:89]([OH:77])(=[O:78])[O:83][CH2:55][C@H:65]([CH2:56][O:84][P:90]([OH:79])(=[O:80])[O:86][CH2:60][C@@H:67]([CH2:58][O:82][C:69]([CH2:52][CH2:44][CH2:36][CH2:30][CH2:28][CH2:33][CH2:41][CH2:49][CH:63]([CH3:6])[CH3:7])=[O:74])[O:88][C:71]([CH2:54][CH2:46][CH2:38][CH2:26][CH2:22][CH2:18][CH2:14][CH2:15][CH2:19][CH2:23][CH2:31][CH2:39][CH2:47][CH:61]([CH3:2])[CH3:3])=[O:76])[OH:72]

Parent-child relations graph

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