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CL(a-13:0/i-22:0/a-13:0/18:2(9Z,11Z))[rac]

PropertiesImage
MNX_IDMNXM1108728 Image of MNXM1108728
referencehmdb:HMDB0073726
formulaC75H142O17P2
global charge0
mol weight1377.892
InChIKeyYBTKEMGNXFHVRV-VMHSTQCHSA-N
InChIInChI=1S/C75H142O17P2/c1-8-11-12-13-14-15-16-17-20-24-27-30-33-44-51-58-74(79)91-70(62-85-72(77)56-49-42-37-35-40-47-54-67(6)9-2)64-89-93(81,82)87-60-69(76)61-88-94(83,84)90-65-71(63-86-73(78)57-50-43-38-36-41-48-55-68(7)10-3)92-75(80)59-52-45-34-31-28-25-22-19-18-21-23-26-29-32-39-46-53-66(4)5/h15-17,20,66-71,76H,8-14,18-19,21-65H2,1-7H3,(H,81,82)(H,83,84)/b16-15-,20-17-/t67?,68?,69-,70-,71-/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)CCCCCCCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C75H142O17P2/c1-8-11-12-13-14-15-16-17-20-24-27-30-33-44-51-58-74(79)91-70(62-85-72(77)56-49-42-37-35-40-47-54-67(6)9-2)64-89-93(81,82)87-60-69(76)61-88-94(83,84)90-65-71(63-86-73(78)57-50-43-38-36-41-48-55-68(7)10-3)92-75(80)59-52-45-34-31-28-25-22-19-18-21-23-26-29-32-39-46-53-66(4)5/h15-17,20,66-71,76H,8-14,18-19,21-65H2,1-7H3,(H,81,82)(H,83,84)/b16-15-,20-17-/t67?,68?,69-,70-,71-/m1/s1 Image of MNXM1108728
SMILES (mnx)[CH3:1][CH2:8][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH:17]=[CH:20]/[CH2:24][CH2:27][CH2:30][CH2:33][CH2:44][CH2:51][CH2:58][C:74](=[O:79])[O:91][C@H:70]([CH2:62][O:85][C:72]([CH2:56][CH2:49][CH2:42][CH2:37][CH2:35][CH2:40][CH2:47][CH2:54][CH:67]([CH3:6])[CH2:9][CH3:2])=[O:77])[CH2:64][O:89][P:93]([OH:81])(=[O:82])[O:87][CH2:60][C@H:69]([CH2:61][O:88][P:94]([OH:83])(=[O:84])[O:90][CH2:65][C@@H:71]([CH2:63][O:86][C:73]([CH2:57][CH2:50][CH2:43][CH2:38][CH2:36][CH2:41][CH2:48][CH2:55][CH:68]([CH3:7])[CH2:10][CH3:3])=[O:78])[O:92][C:75]([CH2:59][CH2:52][CH2:45][CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:18][CH2:21][CH2:23][CH2:26][CH2:29][CH2:32][CH2:39][CH2:46][CH2:53][CH:66]([CH3:4])[CH3:5])=[O:80])[OH:76]
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:HMDB0073726
YBTKEMGNXFHVRV-VMHSTQCHSA-N 		CL(a-13:0/i-22:0/a-13:0/18:2(9Z,11Z))[rac]
(2S)-2-hydroxy-3-{[hydroxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(20-methylhenicosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy)phosphinic acid
CL(66:2)
CL(a-13:0/i-22:0/a-13:0/18:2(9Z,11Z))
CL(a-13:0/i-22:0/a-13:0/18:2)
CL(a-13:0/i-22:0/a-13:0/18:2n7)
CL(a-13:0/i-22:0/a-13:0/18:2w7)
Cardiolipin(66:2)
Cardiolipin(a-13:0/i-22:0/a-13:0/18:2(9Z,11Z))
Cardiolipin(a-13:0/i-22:0/a-13:0/18:2)
Cardiolipin(a-13:0/i-22:0/a-13:0/18:2n7)
Cardiolipin(a-13:0/i-22:0/a-13:0/18:2w7)
[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(20-methylhenicosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphinic acid

hmdb:HMDB73726 		secondary/obsolete/fantasy identifier