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CL(a-13:0/i-24:0/a-13:0/18:2(9Z,11Z))[rac]

PropertiesImage
MNX_IDMNXM1108914 Image of MNXM1108914
referencehmdb:HMDB0074371
formulaC77H146O17P2
global charge0
mol weight1405.946
InChIKeyFOIJCEWPNNPZNA-YWHOUVTISA-N
InChIInChI=1S/C77H146O17P2/c1-8-11-12-13-14-15-16-17-22-26-29-32-35-46-53-60-76(81)93-72(64-87-74(79)58-51-44-39-37-42-49-56-69(6)9-2)66-91-95(83,84)89-62-71(78)63-90-96(85,86)92-67-73(65-88-75(80)59-52-45-40-38-43-50-57-70(7)10-3)94-77(82)61-54-47-36-33-30-27-24-21-19-18-20-23-25-28-31-34-41-48-55-68(4)5/h15-17,22,68-73,78H,8-14,18-21,23-67H2,1-7H3,(H,83,84)(H,85,86)/b16-15-,22-17-/t69?,70?,71-,72-,73-/m1/s1
SMILESCCCCCC/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)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C77H146O17P2/c1-8-11-12-13-14-15-16-17-22-26-29-32-35-46-53-60-76(81)93-72(64-87-74(79)58-51-44-39-37-42-49-56-69(6)9-2)66-91-95(83,84)89-62-71(78)63-90-96(85,86)92-67-73(65-88-75(80)59-52-45-40-38-43-50-57-70(7)10-3)94-77(82)61-54-47-36-33-30-27-24-21-19-18-20-23-25-28-31-34-41-48-55-68(4)5/h15-17,22,68-73,78H,8-14,18-21,23-67H2,1-7H3,(H,83,84)(H,85,86)/b16-15-,22-17-/t69?,70?,71-,72-,73-/m1/s1 Image of MNXM1108914
SMILES (mnx)[CH3:1][CH2:8][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH:17]=[CH:22]/[CH2:26][CH2:29][CH2:32][CH2:35][CH2:46][CH2:53][CH2:60][C:76](=[O:81])[O:93][C@H:72]([CH2:64][O:87][C:74]([CH2:58][CH2:51][CH2:44][CH2:39][CH2:37][CH2:42][CH2:49][CH2:56][CH:69]([CH3:6])[CH2:9][CH3:2])=[O:79])[CH2:66][O:91][P:95]([OH:83])(=[O:84])[O:89][CH2:62][C@H:71]([CH2:63][O:90][P:96]([OH:85])(=[O:86])[O:92][CH2:67][C@@H:73]([CH2:65][O:88][C:75]([CH2:59][CH2:52][CH2:45][CH2:40][CH2:38][CH2:43][CH2:50][CH2:57][CH:70]([CH3:7])[CH2:10][CH3:3])=[O:80])[O:94][C:77]([CH2:61][CH2:54][CH2:47][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:19][CH2:18][CH2:20][CH2:23][CH2:25][CH2:28][CH2:31][CH2:34][CH2:41][CH2:48][CH2:55][CH:68]([CH3:4])[CH3:5])=[O:82])[OH:78]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0074371
FOIJCEWPNNPZNA-YWHOUVTISA-N 		CL(a-13:0/i-24:0/a-13:0/18:2(9Z,11Z))[rac]
(2S)-2-hydroxy-3-{[hydroxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltricosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy)phosphinic acid
CL(68:2)
CL(a-13:0/i-24:0/a-13:0/18:2(9Z,11Z))
CL(a-13:0/i-24:0/a-13:0/18:2)
CL(a-13:0/i-24:0/a-13:0/18:2n7)
CL(a-13:0/i-24:0/a-13:0/18:2w7)
Cardiolipin(68:2)
Cardiolipin(a-13:0/i-24:0/a-13:0/18:2(9Z,11Z))
Cardiolipin(a-13:0/i-24:0/a-13:0/18:2)
Cardiolipin(a-13:0/i-24:0/a-13:0/18:2n7)
Cardiolipin(a-13:0/i-24:0/a-13:0/18:2w7)
[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltricosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphinic acid

hmdb:HMDB74371 		secondary/obsolete/fantasy identifier