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CL(i-13:0/i-24:0/i-12:0/a-25:0)[rac]

PropertiesImage
MNX_IDMNXM1108852 Image of MNXM1108852
referencehmdb:HMDB0074328
formulaC83H162O17P2
global charge0
mol weight1494.14
InChIKeyAKXHTMFOMPSMMV-GVBMSADZSA-N
InChIInChI=1S/C83H162O17P2/c1-9-76(8)62-54-46-37-31-27-23-19-15-11-13-17-21-25-29-33-39-50-58-66-83(88)100-79(70-94-81(86)64-56-48-42-41-45-53-61-75(6)7)72-98-102(91,92)96-68-77(84)67-95-101(89,90)97-71-78(69-93-80(85)63-55-47-40-34-36-44-52-60-74(4)5)99-82(87)65-57-49-38-32-28-24-20-16-12-10-14-18-22-26-30-35-43-51-59-73(2)3/h73-79,84H,9-72H2,1-8H3,(H,89,90)(H,91,92)/t76?,77-,78+,79+/m0/s1
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)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/C83H162O17P2/c1-9-76(8)62-54-46-37-31-27-23-19-15-11-13-17-21-25-29-33-39-50-58-66-83(88)100-79(70-94-81(86)64-56-48-42-41-45-53-61-75(6)7)72-98-102(91,92)96-68-77(84)67-95-101(89,90)97-71-78(69-93-80(85)63-55-47-40-34-36-44-52-60-74(4)5)99-82(87)65-57-49-38-32-28-24-20-16-12-10-14-18-22-26-30-35-43-51-59-73(2)3/h73-79,84H,9-72H2,1-8H3,(H,89,90)(H,91,92)/t76?,77-,78+,79+/m0/s1 Image of MNXM1108852
SMILES (mnx)[CH3:1][CH2:9][CH:76]([CH3:8])[CH2:62][CH2:54][CH2:46][CH2:37][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:39][CH2:50][CH2:58][CH2:66][C:83](=[O:88])[O:100][C@H:79]([CH2:70][O:94][C:81]([CH2:64][CH2:56][CH2:48][CH2:42][CH2:41][CH2:45][CH2:53][CH2:61][CH:75]([CH3:6])[CH3:7])=[O:86])[CH2:72][O:98][P:102]([OH:91])(=[O:92])[O:96][CH2:68][C@H:77]([CH2:67][O:95][P:101]([OH:89])(=[O:90])[O:97][CH2:71][C@@H:78]([CH2:69][O:93][C:80]([CH2:63][CH2:55][CH2:47][CH2:40][CH2:34][CH2:36][CH2:44][CH2:52][CH2:60][CH:74]([CH3:4])[CH3:5])=[O:85])[O:99][C:82]([CH2:65][CH2:57][CH2:49][CH2:38][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:10][CH2:14][CH2:18][CH2:22][CH2:26][CH2:30][CH2:35][CH2:43][CH2:51][CH2:59][CH:73]([CH3:2])[CH3:3])=[O:87])[OH:84]
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:HMDB0074328
AKXHTMFOMPSMMV-GVBMSADZSA-N 		CL(i-13:0/i-24:0/i-12:0/a-25:0)[rac]
1'-[1-isotridecanoyl-2-isotetracosanoyl-sn-glycero-3-phospho],3'-[1,2-diisododecanoyl-rac-glycero-3-phospho]-glycerol
2-hydroxy-3-{[hydroxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(22-methyltricosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-2-[(22-methyltetracosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy)phosphinic acid
CL(1'-[i-13:0/i-24:0],3'-[i-12:0/i-12:0])
CL(61:0)
CL(74:0)
CL(i-13:0/i-24:0/i-12:0/a-25:0)
CL(i-13:0/i-24:0/i-12:0/i-12:0)
Cardiolipin(61:0)
Cardiolipin(74:0)
Cardiolipin(i-13:0/i-24:0/i-12:0/a-25:0)
Cardiolipin(i-13:0/i-24:0/i-12:0/i-12:0)
[2-hydroxy-3-({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(22-methyltricosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-2-[(22-methyltetracosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphinic acid

hmdb:HMDB74328 		secondary/obsolete/fantasy identifier