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CL(18:1(11Z)/16:0/18:1(11Z)/18:0)

PropertiesImage
MNX_IDMNXM122126 Image of MNXM122126
referencehmdb:HMDB0057849
formulaC79H150O17P2
global charge0
mol weight1434
InChIKeyZZGRCIMWGPEEPF-XVBFPVFISA-N
InChIInChI=1S/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,73-75,80H,5-24,27-28,31-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-/t73-,74+,75+/m0/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C79H150O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h25-26,29-30,73-75,80H,5-24,27-28,31-72H2,1-4H3,(H,85,86)(H,87,88)/b29-25-,30-26-/t73-,74+,75+/m0/s1 Image of MNXM122126
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21]/[CH:25]=[CH:29]\[CH2:33][CH2:36][CH2:40][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][CH2:63][C:76](=[O:81])[O:89][CH2:69][C@H:74]([CH2:71][O:93][P:97]([OH:85])(=[O:86])[O:91][CH2:67][C@@H:73]([CH2:68][O:92][P:98]([OH:87])(=[O:88])[O:94][CH2:72][C@@H:75]([CH2:70][O:90][C:77]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:82])[O:96][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:84])[OH:80])[O:95][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:39][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:83]
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:HMDB0057849
ZZGRCIMWGPEEPF-XVBFPVFISA-N 		CL(18:1(11Z)/16:0/18:1(11Z)/18:0)
(2S)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy)phosphinic acid
1'-[1-(11Z-Octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(11Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Vaccenoyl-2-palmitoyl-sn-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/16:0],3'-[18:1(11Z)/18:1(11Z)])
CL(18:1/16:0/18:1/18:1)
CL(70:3)
Cardiolipin(18:1/16:0/18:1/18:1)
Cardiolipin(70:3)
[(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphinic acid

SLM:000544225
slm:000544225
ZZGRCIMWGPEEPF-NNTILWJLSA-L 		Cardiolipin (18:1(11Z)/16:0/18:1(11Z)/18:0)
1'-[1-(11Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(11Z-octadecenoyl)-2-octadecanoyl-sn-glycero-3-phospho]-glycerol
CL (18:1(11Z)/16:0/18:1(11Z)/18:0)

hmdb:HMDB57849 		secondary/obsolete/fantasy identifier