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CL(a-13:0/18:2(9Z,11Z)/a-13:0/i-19:0)[rac]

PropertiesImage
MNX_IDMNXM1109331 Image of MNXM1109331
referencehmdb:HMDB0082895
formulaC72H136O17P2
global charge0
mol weight1335.811
InChIKeyUIGMNVAQTRDZGN-LEUTWXPISA-N
InChIInChI=1S/C72H136O17P2/c1-8-11-12-13-14-15-16-17-18-21-24-27-30-41-48-55-71(76)88-67(59-82-69(74)53-46-39-34-32-37-44-51-64(6)9-2)61-86-90(78,79)84-57-66(73)58-85-91(80,81)87-62-68(60-83-70(75)54-47-40-35-33-38-45-52-65(7)10-3)89-72(77)56-49-42-31-28-25-22-19-20-23-26-29-36-43-50-63(4)5/h15-18,63-68,73H,8-14,19-62H2,1-7H3,(H,78,79)(H,80,81)/b16-15-,18-17-/t64?,65?,66-,67+,68+/m0/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)CCCCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C72H136O17P2/c1-8-11-12-13-14-15-16-17-18-21-24-27-30-41-48-55-71(76)88-67(59-82-69(74)53-46-39-34-32-37-44-51-64(6)9-2)61-86-90(78,79)84-57-66(73)58-85-91(80,81)87-62-68(60-83-70(75)54-47-40-35-33-38-45-52-65(7)10-3)89-72(77)56-49-42-31-28-25-22-19-20-23-26-29-36-43-50-63(4)5/h15-18,63-68,73H,8-14,19-62H2,1-7H3,(H,78,79)(H,80,81)/b16-15-,18-17-/t64?,65?,66-,67+,68+/m0/s1 Image of MNXM1109331
SMILES (mnx)[CH3:1][CH2:8][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH:17]=[CH:18]/[CH2:21][CH2:24][CH2:27][CH2:30][CH2:41][CH2:48][CH2:55][C:71](=[O:76])[O:88][C@H:67]([CH2:59][O:82][C:69]([CH2:53][CH2:46][CH2:39][CH2:34][CH2:32][CH2:37][CH2:44][CH2:51][CH:64]([CH3:6])[CH2:9][CH3:2])=[O:74])[CH2:61][O:86][P:90]([OH:78])(=[O:79])[O:84][CH2:57][C@@H:66]([CH2:58][O:85][P:91]([OH:80])(=[O:81])[O:87][CH2:62][C@@H:68]([CH2:60][O:83][C:70]([CH2:54][CH2:47][CH2:40][CH2:35][CH2:33][CH2:38][CH2:45][CH2:52][CH:65]([CH3:7])[CH2:10][CH3:3])=[O:75])[O:89][C:72]([CH2:56][CH2:49][CH2:42][CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:36][CH2:43][CH2:50][CH:63]([CH3:4])[CH3:5])=[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:HMDB0082895
UIGMNVAQTRDZGN-LEUTWXPISA-N
CL(a-13:0/18:2(9Z,11Z)/a-13:0/i-19:0)[rac]
(2R)-2-hydroxy-3-{[hydroxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(10-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy)phosphinic acid
CL(63:2)
CL(a-13:0/18:2(9Z,11Z)/a-13:0/i-19:0)
CL(a-13:0/18:2/a-13:0/i-19:0)
CL(a-13:0/18:2n7/a-13:0/i-19:0)
CL(a-13:0/18:2w7/a-13:0/i-19:0)
Cardiolipin(63:2)
Cardiolipin(a-13:0/18:2(9Z,11Z)/a-13:0/i-19:0)
Cardiolipin(a-13:0/18:2/a-13:0/i-19:0)
Cardiolipin(a-13:0/18:2n7/a-13:0/i-19:0)
Cardiolipin(a-13:0/18:2w7/a-13:0/i-19:0)
[(2R)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphinic acid

hmdb:HMDB82895
secondary/obsolete/fantasy identifier