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CL(a-13:0/a-25:0/a-13:0/i-19:0)[rac]

PropertiesImage
MNX_IDMNXM1109102 Image of MNXM1109102
referencehmdb:HMDB0075020
formulaC79H154O17P2
global charge0
mol weight1438.032
InChIKeyVKWVINFQXBDXPY-JHITYCFDSA-N
InChIInChI=1S/C79H154O17P2/c1-9-70(6)56-48-40-32-28-24-20-16-14-12-13-15-17-21-25-29-33-45-53-61-78(83)95-74(65-89-76(81)59-51-43-37-35-41-49-57-71(7)10-2)67-93-97(85,86)91-63-73(80)64-92-98(87,88)94-68-75(66-90-77(82)60-52-44-38-36-42-50-58-72(8)11-3)96-79(84)62-54-46-34-30-26-22-18-19-23-27-31-39-47-55-69(4)5/h69-75,80H,9-68H2,1-8H3,(H,85,86)(H,87,88)/t70?,71?,72?,73-,74+,75+/m0/s1
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C79H154O17P2/c1-9-70(6)56-48-40-32-28-24-20-16-14-12-13-15-17-21-25-29-33-45-53-61-78(83)95-74(65-89-76(81)59-51-43-37-35-41-49-57-71(7)10-2)67-93-97(85,86)91-63-73(80)64-92-98(87,88)94-68-75(66-90-77(82)60-52-44-38-36-42-50-58-72(8)11-3)96-79(84)62-54-46-34-30-26-22-18-19-23-27-31-39-47-55-69(4)5/h69-75,80H,9-68H2,1-8H3,(H,85,86)(H,87,88)/t70?,71?,72?,73-,74+,75+/m0/s1 Image of MNXM1109102
SMILES (mnx)[CH3:1][CH2:9][CH:70]([CH3:6])[CH2:56][CH2:48][CH2:40][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:14][CH2:12][CH2:13][CH2:15][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:45][CH2:53][CH2:61][C:78](=[O:83])[O:95][C@H:74]([CH2:65][O:89][C:76]([CH2:59][CH2:51][CH2:43][CH2:37][CH2:35][CH2:41][CH2:49][CH2:57][CH:71]([CH3:7])[CH2:10][CH3:2])=[O:81])[CH2:67][O:93][P:97]([OH:85])(=[O:86])[O:91][CH2:63][C@@H:73]([CH2:64][O:92][P:98]([OH:87])(=[O:88])[O:94][CH2:68][C@@H:75]([CH2:66][O:90][C:77]([CH2:60][CH2:52][CH2:44][CH2:38][CH2:36][CH2:42][CH2:50][CH2:58][CH:72]([CH3:8])[CH2:11][CH3:3])=[O:82])[O:96][C:79]([CH2:62][CH2:54][CH2:46][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:19][CH2:23][CH2:27][CH2:31][CH2:39][CH2:47][CH2:55][CH:69]([CH3:4])[CH3:5])=[O:84])[OH:80]
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:HMDB0075020
VKWVINFQXBDXPY-JHITYCFDSA-N 		CL(a-13:0/a-25:0/a-13:0/i-19:0)[rac]
(2S)-2-hydroxy-3-{[hydroxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltetracosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propoxy)phosphinic acid
1'-[1-anteisotridecanoyl-2-anteisopentacosanoyl-sn-glycero-3-phospho],3'-[1,2-dianteisotridecanoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[a-13:0/a-25:0],3'-[a-13:0/a-13:0])
CL(64:0)
CL(70:0)
CL(a-13:0/a-25:0/a-13:0/a-13:0)
CL(a-13:0/a-25:0/a-13:0/i-19:0)
Cardiolipin(64:0)
Cardiolipin(70:0)
Cardiolipin(a-13:0/a-25:0/a-13:0/a-13:0)
Cardiolipin(a-13:0/a-25:0/a-13:0/i-19:0)
[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltetracosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propoxy]phosphinic acid

hmdb:HMDB75020 		secondary/obsolete/fantasy identifier