CL(i-12:0/a-15:0/i-14:0/i-17:0)[rac]

Properties Image MNX_ID MNXM1111458 reference hmdb:HMDB0087551 formula C67H130O17P2 global charge 0 mol weight 1269.708 InChIKey WNSAWPNEHPAVFZ-DPVUWJHFSA-N InChI InChI=1S/C67H130O17P2/c1-9-60(8)46-38-30-21-16-18-24-34-42-50-67(72)84-63(54-78-65(70)48-40-32-26-25-29-37-45-59(6)7)56-82-86(75,76)80-52-61(68)51-79-85(73,74)81-55-62(53-77-64(69)47-39-31-22-17-15-20-28-36-44-58(4)5)83-66(71)49-41-33-23-14-12-10-11-13-19-27-35-43-57(2)3/h57-63,68H,9-56H2,1-8H3,(H,73,74)(H,75,76)/t60?,61-,62-,63-/m1/s1 SMILES CCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C67H130O17P2/c1-9-60(8)46-38-30-21-16-18-24-34-42-50-67(72)84-63(54-78-65(70)48-40-32-26-25-29-37-45-59(6)7)56-82-86(75,76)80-52-61(68)51-79-85(73,74)81-55-62(53-77-64(69)47-39-31-22-17-15-20-28-36-44-58(4)5)83-66(71)49-41-33-23-14-12-10-11-13-19-27-35-43-57(2)3/h57-63,68H,9-56H2,1-8H3,(H,73,74)(H,75,76)/t60?,61-,62-,63-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:60]([CH3:8])[CH2:46][CH2:38][CH2:30][CH2:21][CH2:16][CH2:18][CH2:24][CH2:34][CH2:42][CH2:50][C:67](=[O:72])[O:84][C@H:63]([CH2:54][O:78][C:65]([CH2:48][CH2:40][CH2:32][CH2:26][CH2:25][CH2:29][CH2:37][CH2:45][CH:59]([CH3:6])[CH3:7])=[O:70])[CH2:56][O:82][P:86]([OH:75])(=[O:76])[O:80][CH2:52][C@@H:61]([CH2:51][O:79][P:85]([OH:73])(=[O:74])[O:81][CH2:55][C@@H:62]([CH2:53][O:77][C:64]([CH2:47][CH2:39][CH2:31][CH2:22][CH2:17][CH2:15][CH2:20][CH2:28][CH2:36][CH2:44][CH:58]([CH3:4])[CH3:5])=[O:69])[O:83][C:66]([CH2:49][CH2:41][CH2:33][CH2:23][CH2:14][CH2:12][CH2:10][CH2:11][CH2:13][CH2:19][CH2:27][CH2:35][CH2:43][CH:57]([CH3:2])[CH3:3])=[O:71])[OH:68]

Parent-child relations graph

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