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CL(a-13:0/a-25:0/i-13:0/i-21:0)[rac]

PropertiesImage
MNX_IDMNXM1109116 Image of MNXM1109116
referencehmdb:HMDB0075030
formulaC81H158O17P2
global charge0
mol weight1466.086
InChIKeyZAIPHMAWNGYFQR-NLFQNMFLSA-N
InChIInChI=1S/C81H158O17P2/c1-9-73(7)59-51-43-35-29-25-21-17-13-11-12-14-18-22-26-30-36-47-55-64-81(86)98-77(68-92-79(84)62-54-46-40-39-44-52-60-74(8)10-2)70-96-100(89,90)94-66-75(82)65-93-99(87,88)95-69-76(67-91-78(83)61-53-45-38-32-34-42-50-58-72(5)6)97-80(85)63-56-48-37-31-27-23-19-15-16-20-24-28-33-41-49-57-71(3)4/h71-77,82H,9-70H2,1-8H3,(H,87,88)(H,89,90)/t73?,74?,75-,76-,77-/m1/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)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C81H158O17P2/c1-9-73(7)59-51-43-35-29-25-21-17-13-11-12-14-18-22-26-30-36-47-55-64-81(86)98-77(68-92-79(84)62-54-46-40-39-44-52-60-74(8)10-2)70-96-100(89,90)94-66-75(82)65-93-99(87,88)95-69-76(67-91-78(83)61-53-45-38-32-34-42-50-58-72(5)6)97-80(85)63-56-48-37-31-27-23-19-15-16-20-24-28-33-41-49-57-71(3)4/h71-77,82H,9-70H2,1-8H3,(H,87,88)(H,89,90)/t73?,74?,75-,76-,77-/m1/s1 Image of MNXM1109116
SMILES (mnx)[CH3:1][CH2:9][CH:73]([CH3:7])[CH2:59][CH2:51][CH2:43][CH2:35][CH2:29][CH2:25][CH2:21][CH2:17][CH2:13][CH2:11][CH2:12][CH2:14][CH2:18][CH2:22][CH2:26][CH2:30][CH2:36][CH2:47][CH2:55][CH2:64][C:81](=[O:86])[O:98][C@H:77]([CH2:68][O:92][C:79]([CH2:62][CH2:54][CH2:46][CH2:40][CH2:39][CH2:44][CH2:52][CH2:60][CH:74]([CH3:8])[CH2:10][CH3:2])=[O:84])[CH2:70][O:96][P:100]([OH:89])(=[O:90])[O:94][CH2:66][C@@H:75]([CH2:65][O:93][P:99]([OH:87])(=[O:88])[O:95][CH2:69][C@@H:76]([CH2:67][O:91][C:78]([CH2:61][CH2:53][CH2:45][CH2:38][CH2:32][CH2:34][CH2:42][CH2:50][CH2:58][CH:72]([CH3:5])[CH3:6])=[O:83])[O:97][C:80]([CH2:63][CH2:56][CH2:48][CH2:37][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:16][CH2:20][CH2:24][CH2:28][CH2:33][CH2:41][CH2:49][CH2:57][CH:71]([CH3:3])[CH3:4])=[O:85])[OH:82]
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:HMDB0075030
ZAIPHMAWNGYFQR-NLFQNMFLSA-N 		CL(a-13:0/a-25:0/i-13:0/i-21:0)[rac]
(2R)-2-hydroxy-3-{[hydroxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(19-methylicosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltetracosanoyl)oxy]propoxy)phosphinic acid
1'-[1-anteisotridecanoyl-2-anteisopentacosanoyl-sn-glycero-3-phospho],3'-[1,2-diisotridecanoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[a-13:0/a-25:0],3'-[i-13:0/i-13:0])
CL(64:0)
CL(72:0)
CL(a-13:0/a-25:0/i-13:0/i-13:0)
CL(a-13:0/a-25:0/i-13:0/i-21:0)
Cardiolipin(64:0)
Cardiolipin(72:0)
Cardiolipin(a-13:0/a-25:0/i-13:0/i-13:0)
Cardiolipin(a-13:0/a-25:0/i-13:0/i-21:0)
[(2R)-2-hydroxy-3-({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(19-methylicosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltetracosanoyl)oxy]propoxy]phosphinic acid

hmdb:HMDB75030 		secondary/obsolete/fantasy identifier