CL(i-12:0/i-21:0/a-13:0/18:2(9Z,11Z))[rac]

Properties Image MNX_ID MNXM1110720 reference hmdb:HMDB0081742 formula C73H138O17P2 global charge 0 mol weight 1349.838 InChIKey SQVXZSJJGFRJAW-YSFZEUIWSA-N InChI InChI=1S/C73H138O17P2/c1-8-10-11-12-13-14-15-16-18-22-25-28-31-42-49-56-73(78)90-69(61-84-71(76)55-48-41-36-34-39-46-53-66(7)9-2)63-88-92(81,82)86-59-67(74)58-85-91(79,80)87-62-68(60-83-70(75)54-47-40-35-33-38-45-52-65(5)6)89-72(77)57-50-43-32-29-26-23-20-17-19-21-24-27-30-37-44-51-64(3)4/h14-16,18,64-69,74H,8-13,17,19-63H2,1-7H3,(H,79,80)(H,81,82)/b15-14-,18-16-/t66?,67-,68+,69+/m0/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C73H138O17P2/c1-8-10-11-12-13-14-15-16-18-22-25-28-31-42-49-56-73(78)90-69(61-84-71(76)55-48-41-36-34-39-46-53-66(7)9-2)63-88-92(81,82)86-59-67(74)58-85-91(79,80)87-62-68(60-83-70(75)54-47-40-35-33-38-45-52-65(5)6)89-72(77)57-50-43-32-29-26-23-20-17-19-21-24-27-30-37-44-51-64(3)4/h14-16,18,64-69,74H,8-13,17,19-63H2,1-7H3,(H,79,80)(H,81,82)/b15-14-,18-16-/t66?,67-,68+,69+/m0/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH:16]=[CH:18]/[CH2:22][CH2:25][CH2:28][CH2:31][CH2:42][CH2:49][CH2:56][C:73](=[O:78])[O:90][C@H:69]([CH2:61][O:84][C:71]([CH2:55][CH2:48][CH2:41][CH2:36][CH2:34][CH2:39][CH2:46][CH2:53][CH:66]([CH3:7])[CH2:9][CH3:2])=[O:76])[CH2:63][O:88][P:92]([OH:81])(=[O:82])[O:86][CH2:59][C@H:67]([CH2:58][O:85][P:91]([OH:79])(=[O:80])[O:87][CH2:62][C@@H:68]([CH2:60][O:83][C:70]([CH2:54][CH2:47][CH2:40][CH2:35][CH2:33][CH2:38][CH2:45][CH2:52][CH:65]([CH3:5])[CH3:6])=[O:75])[O:89][C:72]([CH2:57][CH2:50][CH2:43][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:19][CH2:21][CH2:24][CH2:27][CH2:30][CH2:37][CH2:44][CH2:51][CH:64]([CH3:3])[CH3:4])=[O:77])[OH:74]

Parent-child relations graph

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