Search MNXref
 Feedback

CL(i-13:0/18:2(9Z,11Z)/a-13:0/i-24:0)[rac]

PropertiesImage
MNX_IDMNXM1108913 Image of MNXM1108913
referencehmdb:HMDB0082934
formulaC77H146O17P2
global charge0
mol weight1405.946
InChIKeyMITHAHRZZMJDEQ-NSPGGYITSA-N
InChIInChI=1S/C77H146O17P2/c1-8-10-11-12-13-14-15-16-21-25-28-31-36-46-53-60-76(81)93-72(64-87-74(79)58-51-44-38-33-35-42-49-56-69(5)6)66-91-95(83,84)89-62-71(78)63-90-96(85,86)92-67-73(65-88-75(80)59-52-45-40-39-43-50-57-70(7)9-2)94-77(82)61-54-47-37-32-29-26-23-20-18-17-19-22-24-27-30-34-41-48-55-68(3)4/h14-16,21,68-73,78H,8-13,17-20,22-67H2,1-7H3,(H,83,84)(H,85,86)/b15-14-,21-16-/t70?,71-,72+,73+/m0/s1
SMILESCCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C77H146O17P2/c1-8-10-11-12-13-14-15-16-21-25-28-31-36-46-53-60-76(81)93-72(64-87-74(79)58-51-44-38-33-35-42-49-56-69(5)6)66-91-95(83,84)89-62-71(78)63-90-96(85,86)92-67-73(65-88-75(80)59-52-45-40-39-43-50-57-70(7)9-2)94-77(82)61-54-47-37-32-29-26-23-20-18-17-19-22-24-27-30-34-41-48-55-68(3)4/h14-16,21,68-73,78H,8-13,17-20,22-67H2,1-7H3,(H,83,84)(H,85,86)/b15-14-,21-16-/t70?,71-,72+,73+/m0/s1 Image of MNXM1108913
SMILES (mnx)[CH3:1][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH:16]=[CH:21]/[CH2:25][CH2:28][CH2:31][CH2:36][CH2:46][CH2:53][CH2:60][C:76](=[O:81])[O:93][C@H:72]([CH2:64][O:87][C:74]([CH2:58][CH2:51][CH2:44][CH2:38][CH2:33][CH2:35][CH2:42][CH2:49][CH2:56][CH:69]([CH3:5])[CH3:6])=[O:79])[CH2:66][O:91][P:95]([OH:83])(=[O:84])[O:89][CH2:62][C@@H:71]([CH2:63][O:90][P:96]([OH:85])(=[O:86])[O:92][CH2:67][C@@H:73]([CH2:65][O:88][C:75]([CH2:59][CH2:52][CH2:45][CH2:40][CH2:39][CH2:43][CH2:50][CH2:57][CH:70]([CH3:7])[CH2:9][CH3:2])=[O:80])[O:94][C:77]([CH2:61][CH2:54][CH2:47][CH2:37][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:18][CH2:17][CH2:19][CH2:22][CH2:24][CH2:27][CH2:30][CH2:34][CH2:41][CH2:48][CH2:55][CH:68]([CH3:3])[CH3:4])=[O:82])[OH:78]
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:HMDB0082934
MITHAHRZZMJDEQ-NSPGGYITSA-N 		CL(i-13:0/18:2(9Z,11Z)/a-13:0/i-24:0)[rac]
2-hydroxy-3-{[hydroxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltricosanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy)phosphinic acid
CL(68:2)
CL(i-13:0/18:2(9Z,11Z)/a-13:0/i-24:0)
CL(i-13:0/18:2/a-13:0/i-24:0)
CL(i-13:0/18:2n7/a-13:0/i-24:0)
CL(i-13:0/18:2w7/a-13:0/i-24:0)
Cardiolipin(68:2)
Cardiolipin(i-13:0/18:2(9Z,11Z)/a-13:0/i-24:0)
Cardiolipin(i-13:0/18:2/a-13:0/i-24:0)
Cardiolipin(i-13:0/18:2n7/a-13:0/i-24:0)
Cardiolipin(i-13:0/18:2w7/a-13:0/i-24:0)
[2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(22-methyltricosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphinic acid

hmdb:HMDB82934 		secondary/obsolete/fantasy identifier