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Cardiolipin (tetrahexadec-9-enoyl, n-C16:1)

PropertiesImage
MNX_IDMNXM736306 Image of MNXM736306
referencebiggM:clpn161
formulaC73H132O17P2
global charge-2
mol weight1343.79
InChIKeyUYSHBKYVDAZLKJ-UHFFFAOYSA-L
InChIInChI=1S/C73H134O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,67-69,74H,5-24,33-66H2,1-4H3,(H,79,80)(H,81,82)/p-2
SMILESCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C73H134O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,67-69,74H,5-24,33-66H2,1-4H3,(H,79,80)(H,81,82)/b29-25?,30-26?,31-27?,32-28?/t67?,68?,69? Image of MNXM736306
SMILES (mnx)[CH3:1][CH:2]([CH2:3][CH2:4][C:5]([CH3:6])(=[CH2:7])[CH2:8][CH2:9][CH:10]([CH2:11][C:12](=[CH2:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH:21]=[CH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:29][CH2:30][C:31](=[CH2:32])[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH:40]=[CH:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][C:50]([CH3:51])(=[CH2:52])[CH2:53][CH2:54][CH:55]([CH2:56][C:57](=[CH2:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH:66]=[CH:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73])[O:74][O:75][O:76](=[O:77])[O:78][O:79][O:80][O:81][O:82][O:83][O:84][O:85]=[O:86][O:87][O:88][O:89][O:90][PH:91][PH2:92]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:clpn161
biggM:clpn161
UYSHBKYVDAZLKJ-UHFFFAOYSA-L
Cardiolipin (tetrahexadec-9-enoyl, n-C16:1)

biggM:M_clpn161
secondary/obsolete/fantasy identifier