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CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))

PropertiesImage
MNX_IDMNXM121359 Image of MNXM121359
referencehmdb:HMDB0057568
formulaC79H144O17P2
global charge0
mol weight1427.952
InChIKeyZUKHPKHIRMPOEK-QSIIVROTSA-N
InChIInChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h23,25-30,32,35,38,73-75,80H,5-22,24,31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b27-23-,29-25-,30-26-,32-28-,38-35-/t73-,74+,75+/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h23,25-30,32,35,38,73-75,80H,5-22,24,31,33-34,36-37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b27-23-,29-25-,30-26-,32-28-,38-35-/t73-,74+,75+/m0/s1 Image of MNXM121359
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21]/[CH:25]=[CH:29]\[CH2:33][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][CH2:64][C:77](=[O:82])[O:90][CH2:70][C@H:75]([CH2:72][O:94][P:98]([OH:87])(=[O:88])[O:92][CH2:68][C@H:73]([CH2:67][O:91][P:97]([OH:85])(=[O:86])[O:93][CH2:71][C@@H:74]([CH2:69][O:89][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:81])[O:95][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:83])[OH:80])[O:96][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42]/[CH:38]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O: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:HMDB0057568
ZUKHPKHIRMPOEK-QSIIVROTSA-N 		CL(16:1(9Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
(2S)-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
1'-[1-(9Z-Hexadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(11Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoleoyl-2-vaccenoyl-sn-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/18:1(11Z)],3'-[18:1(11Z)/18:1(11Z)])
CL(16:1/18:1/18:1/18:1)
CL(70:4)
Cardiolipin(16:1/18:1/18:1/18:1)
Cardiolipin(70:4)
[(2S)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinate
[(2S)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid

SLM:000532127
slm:000532127
ZUKHPKHIRMPOEK-YXIHOAECSA-L 		Cardiolipin (16:1(9Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
1'-[1-(9Z-hexadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(11Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol
CL (16:1(9Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))

hmdb:HMDB57568 		secondary/obsolete/fantasy identifier