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CL(i-13:0/i-24:0/a-13:0/a-21:0)[rac]

PropertiesImage
MNX_IDMNXM1108938 Image of MNXM1108938
referencehmdb:HMDB0074386
formulaC80H156O17P2
global charge0
mol weight1452.059
InChIKeyBQLJTEYMBBGHND-AZBWYDHPSA-N
InChIInChI=1S/C80H156O17P2/c1-9-72(7)58-50-42-34-28-24-20-17-18-22-26-30-36-47-55-63-80(85)97-76(67-91-78(83)61-53-45-39-38-43-51-59-73(8)10-2)69-95-99(88,89)93-65-74(81)64-92-98(86,87)94-68-75(66-90-77(82)60-52-44-37-31-33-41-49-57-71(5)6)96-79(84)62-54-46-35-29-25-21-16-14-12-11-13-15-19-23-27-32-40-48-56-70(3)4/h70-76,81H,9-69H2,1-8H3,(H,86,87)(H,88,89)/t72?,73?,74-,75+,76+/m0/s1
SMILESCCC(C)CCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C80H156O17P2/c1-9-72(7)58-50-42-34-28-24-20-17-18-22-26-30-36-47-55-63-80(85)97-76(67-91-78(83)61-53-45-39-38-43-51-59-73(8)10-2)69-95-99(88,89)93-65-74(81)64-92-98(86,87)94-68-75(66-90-77(82)60-52-44-37-31-33-41-49-57-71(5)6)96-79(84)62-54-46-35-29-25-21-16-14-12-11-13-15-19-23-27-32-40-48-56-70(3)4/h70-76,81H,9-69H2,1-8H3,(H,86,87)(H,88,89)/t72?,73?,74-,75+,76+/m0/s1 Image of MNXM1108938
SMILES (mnx)[CH3:1][CH2:9][CH:72]([CH3:7])[CH2:58][CH2:50][CH2:42][CH2:34][CH2:28][CH2:24][CH2:20][CH2:17][CH2:18][CH2:22][CH2:26][CH2:30][CH2:36][CH2:47][CH2:55][CH2:63][C:80](=[O:85])[O:97][C@H:76]([CH2:67][O:91][C:78]([CH2:61][CH2:53][CH2:45][CH2:39][CH2:38][CH2:43][CH2:51][CH2:59][CH:73]([CH3:8])[CH2:10][CH3:2])=[O:83])[CH2:69][O:95][P:99]([OH:88])(=[O:89])[O:93][CH2:65][C@H:74]([CH2:64][O:92][P:98]([OH:86])(=[O:87])[O:94][CH2:68][C@@H:75]([CH2:66][O:90][C:77]([CH2:60][CH2:52][CH2:44][CH2:37][CH2:31][CH2:33][CH2:41][CH2:49][CH2:57][CH:71]([CH3:5])[CH3:6])=[O:82])[O:96][C:79]([CH2:62][CH2:54][CH2:46][CH2:35][CH2:29][CH2:25][CH2:21][CH2:16][CH2:14][CH2:12][CH2:11][CH2:13][CH2:15][CH2:19][CH2:23][CH2:27][CH2:32][CH2:40][CH2:48][CH2:56][CH:70]([CH3:3])[CH3:4])=[O:84])[OH:81]
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:HMDB0074386
BQLJTEYMBBGHND-AZBWYDHPSA-N 		CL(i-13:0/i-24:0/a-13:0/a-21:0)[rac]
1'-[1-isotridecanoyl-2-isotetracosanoyl-sn-glycero-3-phospho],3'-[1,2-dianteisotridecanoyl-rac-glycero-3-phospho]-glycerol
2-hydroxy-3-{[hydroxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(22-methyltricosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(18-methylicosanoyl)oxy]propoxy)phosphinic acid
CL(1'-[i-13:0/i-24:0],3'-[a-13:0/a-13:0])
CL(63:0)
CL(71:0)
CL(i-13:0/i-24:0/a-13:0/a-13:0)
CL(i-13:0/i-24:0/a-13:0/a-21:0)
Cardiolipin(63:0)
Cardiolipin(71:0)
Cardiolipin(i-13:0/i-24:0/a-13:0/a-13:0)
Cardiolipin(i-13:0/i-24:0/a-13:0/a-21:0)
[2-hydroxy-3-({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(22-methyltricosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(18-methylicosanoyl)oxy]propoxy]phosphinic acid

hmdb:HMDB74386 		secondary/obsolete/fantasy identifier