CL(i-13:0/a-21:0/a-13:0/a-13:0)[rac]

Properties Image MNX_ID MNXM1109682 reference hmdb:HMDB0077310 formula C69H134O17P2 global charge 0 mol weight 1297.762 InChIKey AEQZGYBTBPXLPU-MOADMQNUSA-N InChI InChI=1S/C69H134O17P2/c1-9-60(6)46-38-30-22-18-16-14-12-13-15-17-19-23-35-43-51-68(73)85-64(55-79-66(71)49-41-33-24-20-21-29-37-45-59(4)5)57-83-87(75,76)81-53-63(70)54-82-88(77,78)84-58-65(86-69(74)52-44-36-28-26-32-40-48-62(8)11-3)56-80-67(72)50-42-34-27-25-31-39-47-61(7)10-2/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t60?,61?,62?,63-,64+,65+/m0/s1 SMILES CCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC MNX internals InChI (mnx) InChI=1/C69H134O17P2/c1-9-60(6)46-38-30-22-18-16-14-12-13-15-17-19-23-35-43-51-68(73)85-64(55-79-66(71)49-41-33-24-20-21-29-37-45-59(4)5)57-83-87(75,76)81-53-63(70)54-82-88(77,78)84-58-65(86-69(74)52-44-36-28-26-32-40-48-62(8)11-3)56-80-67(72)50-42-34-27-25-31-39-47-61(7)10-2/h59-65,70H,9-58H2,1-8H3,(H,75,76)(H,77,78)/t60?,61?,62?,63-,64+,65+/m0/s1 SMILES (mnx) [CH3:1][CH2:9][CH:60]([CH3:6])[CH2:46][CH2:38][CH2:30][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:13][CH2:15][CH2:17][CH2:19][CH2:23][CH2:35][CH2:43][CH2:51][C:68](=[O:73])[O:85][C@H:64]([CH2:55][O:79][C:66]([CH2:49][CH2:41][CH2:33][CH2:24][CH2:20][CH2:21][CH2:29][CH2:37][CH2:45][CH:59]([CH3:4])[CH3:5])=[O:71])[CH2:57][O:83][P:87]([OH:75])(=[O:76])[O:81][CH2:53][C@@H:63]([CH2:54][O:82][P:88]([OH:77])(=[O:78])[O:84][CH2:58][C@@H:65]([CH2:56][O:80][C:67]([CH2:50][CH2:42][CH2:34][CH2:27][CH2:25][CH2:31][CH2:39][CH2:47][CH:61]([CH3:7])[CH2:10][CH3:2])=[O:72])[O:86][C:69]([CH2:52][CH2:44][CH2:36][CH2:28][CH2:26][CH2:32][CH2:40][CH2:48][CH:62]([CH3:8])[CH2:11][CH3:3])=[O:74])[OH:70]

Parent-child relations graph

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