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

PropertiesImage
MNX_IDMNXM1111556 Image of MNXM1111556
referencehmdb:HMDB0089558
formulaC72H140O17P2
global charge0
mol weight1339.843
InChIKeyPPRTVVANGUSXDV-VYKAVAACSA-N
InChIInChI=1S/C72H140O17P2/c1-9-64(7)50-42-34-25-21-19-17-15-13-11-12-14-16-18-20-22-26-38-46-54-71(76)88-67(58-82-69(74)52-44-36-30-28-33-41-49-63(5)6)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(89-72(77)55-47-39-27-23-24-32-40-48-62(3)4)59-83-70(75)53-45-37-31-29-35-43-51-65(8)10-2/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67+,68+/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)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C72H140O17P2/c1-9-64(7)50-42-34-25-21-19-17-15-13-11-12-14-16-18-20-22-26-38-46-54-71(76)88-67(58-82-69(74)52-44-36-30-28-33-41-49-63(5)6)60-86-90(78,79)84-56-66(73)57-85-91(80,81)87-61-68(89-72(77)55-47-39-27-23-24-32-40-48-62(3)4)59-83-70(75)53-45-37-31-29-35-43-51-65(8)10-2/h62-68,73H,9-61H2,1-8H3,(H,78,79)(H,80,81)/t64?,65?,66-,67+,68+/m0/s1 Image of MNXM1111556
SMILES (mnx)[CH3:1][CH2:9][CH:64]([CH3:7])[CH2:50][CH2:42][CH2:34][CH2:25][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:26][CH2:38][CH2:46][CH2:54][C:71](=[O:76])[O:88][C@H:67]([CH2:58][O:82][C:69]([CH2:52][CH2:44][CH2:36][CH2:30][CH2:28][CH2:33][CH2:41][CH2:49][CH:63]([CH3:5])[CH3:6])=[O:74])[CH2:60][O:86][P:90]([OH:78])(=[O:79])[O:84][CH2:56][C@@H:66]([CH2:57][O:85][P:91]([OH:80])(=[O:81])[O:87][CH2:61][C@@H:68]([CH2:59][O:83][C:70]([CH2:53][CH2:45][CH2:37][CH2:31][CH2:29][CH2:35][CH2:43][CH2:51][CH:65]([CH3:8])[CH2:10][CH3:2])=[O:75])[O:89][C:72]([CH2:55][CH2:47][CH2:39][CH2:27][CH2:23][CH2:24][CH2:32][CH2:40][CH2:48][CH:62]([CH3:3])[CH3:4])=[O:77])[OH:73]
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:HMDB0089558
PPRTVVANGUSXDV-VYKAVAACSA-N
CL(i-12:0/a-25:0/a-13:0/i-13:0)[rac]
(2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(22-methyltetracosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(11-methyldodecanoyl)oxy]propoxy)phosphinic acid
1'-[1-isododecanoyl-2-anteisopentacosanoyl-sn-glycero-3-phospho],3'-[1,2-dianteisotridecanoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[i-12:0/a-25:0],3'-[a-13:0/a-13:0])
CL(63:0)
CL(i-12:0/a-25:0/a-13:0/a-13:0)
CL(i-12:0/a-25:0/a-13:0/i-13:0)
Cardiolipin(63:0)
Cardiolipin(i-12:0/a-25:0/a-13:0/a-13:0)
Cardiolipin(i-12:0/a-25:0/a-13:0/i-13:0)
[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(22-methyltetracosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(11-methyldodecanoyl)oxy]propoxy]phosphinic acid

hmdb:HMDB89558
secondary/obsolete/fantasy identifier