CL(i-12:0/a-21:0/i-13:0/a-15:0)[rac]

Properties Image MNX_ID MNXM1110704 reference hmdb:HMDB0081718 formula C70H136O17P2 global charge 0 mol weight 1311.789 InChIKey LTSUVQAVPAHNBO-JWAQNRQTSA-N InChI InChI=1S/C70H136O17P2/c1-9-62(7)48-40-32-23-17-15-13-11-12-14-16-18-25-36-44-52-69(74)86-66(57-81-68(73)51-43-35-29-28-31-39-47-61(5)6)59-85-89(78,79)83-55-64(71)54-82-88(76,77)84-58-65(56-80-67(72)50-42-34-27-21-22-30-38-46-60(3)4)87-70(75)53-45-37-26-20-19-24-33-41-49-63(8)10-2/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t62?,63?,64-,65-,66-/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)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC MNX internals InChI (mnx) InChI=1/C70H136O17P2/c1-9-62(7)48-40-32-23-17-15-13-11-12-14-16-18-25-36-44-52-69(74)86-66(57-81-68(73)51-43-35-29-28-31-39-47-61(5)6)59-85-89(78,79)83-55-64(71)54-82-88(76,77)84-58-65(56-80-67(72)50-42-34-27-21-22-30-38-46-60(3)4)87-70(75)53-45-37-26-20-19-24-33-41-49-63(8)10-2/h60-66,71H,9-59H2,1-8H3,(H,76,77)(H,78,79)/t62?,63?,64-,65-,66-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:62]([CH3:7])[CH2:48][CH2:40][CH2:32][CH2:23][CH2:17][CH2:15][CH2:13][CH2:11][CH2:12][CH2:14][CH2:16][CH2:18][CH2:25][CH2:36][CH2:44][CH2:52][C:69](=[O:74])[O:86][C@H:66]([CH2:57][O:81][C:68]([CH2:51][CH2:43][CH2:35][CH2:29][CH2:28][CH2:31][CH2:39][CH2:47][CH:61]([CH3:5])[CH3:6])=[O:73])[CH2:59][O:85][P:89]([OH:78])(=[O:79])[O:83][CH2:55][C@@H:64]([CH2:54][O:82][P:88]([OH:76])(=[O:77])[O:84][CH2:58][C@@H:65]([CH2:56][O:80][C:67]([CH2:50][CH2:42][CH2:34][CH2:27][CH2:21][CH2:22][CH2:30][CH2:38][CH2:46][CH:60]([CH3:3])[CH3:4])=[O:72])[O:87][C:70]([CH2:53][CH2:45][CH2:37][CH2:26][CH2:20][CH2:19][CH2:24][CH2:33][CH2:41][CH2:49][CH:63]([CH3:8])[CH2:10][CH3:2])=[O:75])[OH:71]

Parent-child relations graph

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