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CL(a-13:0/a-25:0/a-13:0/18:2(9Z,11Z))[rac]

PropertiesImage
MNX_IDMNXM1109090 Image of MNXM1109090
referencehmdb:HMDB0075012
formulaC78H148O17P2
global charge0
mol weight1419.973
InChIKeyIKVCZGUPOVUOOL-SNUYTRIOSA-N
InChIInChI=1S/C78H148O17P2/c1-8-12-13-14-15-16-17-18-23-27-30-33-36-47-54-61-77(82)94-73(65-88-75(80)59-52-45-40-38-43-50-57-70(6)10-3)67-92-96(84,85)90-63-72(79)64-91-97(86,87)93-68-74(66-89-76(81)60-53-46-41-39-44-51-58-71(7)11-4)95-78(83)62-55-48-37-34-31-28-25-22-20-19-21-24-26-29-32-35-42-49-56-69(5)9-2/h16-18,23,69-74,79H,8-15,19-22,24-68H2,1-7H3,(H,84,85)(H,86,87)/b17-16-,23-18-/t69?,70?,71?,72-,73-,74-/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)CC
MNX internals
InChI (mnx)InChI=1/C78H148O17P2/c1-8-12-13-14-15-16-17-18-23-27-30-33-36-47-54-61-77(82)94-73(65-88-75(80)59-52-45-40-38-43-50-57-70(6)10-3)67-92-96(84,85)90-63-72(79)64-91-97(86,87)93-68-74(66-89-76(81)60-53-46-41-39-44-51-58-71(7)11-4)95-78(83)62-55-48-37-34-31-28-25-22-20-19-21-24-26-29-32-35-42-49-56-69(5)9-2/h16-18,23,69-74,79H,8-15,19-22,24-68H2,1-7H3,(H,84,85)(H,86,87)/b17-16-,23-18-/t69?,70?,71?,72-,73-,74-/m1/s1 Image of MNXM1109090
SMILES (mnx)[CH3:1][CH2:8][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]\[CH:18]=[CH:23]/[CH2:27][CH2:30][CH2:33][CH2:36][CH2:47][CH2:54][CH2:61][C:77](=[O:82])[O:94][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]([CH3:6])[CH2:10][CH3:3])=[O:80])[CH2:67][O:92][P:96]([OH:84])(=[O:85])[O:90][CH2:63][C@H:72]([CH2:64][O:91][P:97]([OH:86])(=[O:87])[O:93][CH2:68][C@@H:74]([CH2:66][O:89][C:76]([CH2:60][CH2:53][CH2:46][CH2:41][CH2:39][CH2:44][CH2:51][CH2:58][CH:71]([CH3:7])[CH2:11][CH3:4])=[O:81])[O:95][C:78]([CH2:62][CH2:55][CH2:48][CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:22][CH2:20][CH2:19][CH2:21][CH2:24][CH2:26][CH2:29][CH2:32][CH2:35][CH2:42][CH2:49][CH2:56][CH:69]([CH3:5])[CH2:9][CH3:2])=[O:83])[OH:79]
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:HMDB0075012
IKVCZGUPOVUOOL-SNUYTRIOSA-N 		CL(a-13:0/a-25:0/a-13:0/18:2(9Z,11Z))[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-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy)phosphinic acid
CL(69:2)
CL(a-13:0/a-25:0/a-13:0/18:2(9Z,11Z))
CL(a-13:0/a-25:0/a-13:0/18:2)
CL(a-13:0/a-25:0/a-13:0/18:2n7)
CL(a-13:0/a-25:0/a-13:0/18:2w7)
Cardiolipin(69:2)
Cardiolipin(a-13:0/a-25:0/a-13:0/18:2(9Z,11Z))
Cardiolipin(a-13:0/a-25:0/a-13:0/18:2)
Cardiolipin(a-13:0/a-25:0/a-13:0/18:2n7)
Cardiolipin(a-13:0/a-25:0/a-13:0/18:2w7)
[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltetracosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphinic acid

hmdb:HMDB75012 		secondary/obsolete/fantasy identifier