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Cardiolipin (18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:0)

PropertiesImage
MNX_IDMNXM123015 Image of MNXM123015
referenceslm:000579522
formulaC81H148O17P2
global charge-2
mol weight1456.006
InChIKeyXKZDBGZBWQVAEF-VARZBMSPSA-L
InChIInChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,75-77,82H,5-20,23-24,27-32,35-36,39-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/b25-21-,26-22-,37-33-,38-34-/t76-,77-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-34,37-38,75-77,82H,5-20,23-24,27-32,35-36,39-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,37-33-,38-34-/t76-,77-/m1/s1 Image of MNXM123015
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][CH2:65][C:78](=[O:83])[O:91][CH2:71][C@H:76]([CH2:73][O:95][P:99]([OH:87])(=[O:88])[O:93][CH2:69][CH:75]([CH2:70][O:94][P:100]([OH:89])(=[O:90])[O:96][CH2:74][C@@H:77]([CH2:72][O:92][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:84])[O:98][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:86])[OH:82])[O:97][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:85]
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

SLM:000579522
slm:000579522
XKZDBGZBWQVAEF-VARZBMSPSA-L 		Cardiolipin (18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:0)
1',3'-Bis-[1-(9Z,12Z-octadecadienoyl)-2-octadecanoyl-sn-glycero-3-phospho]-sn-glycerol
CL (18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:0)

lipidmaps:LMGP12010710
lipidmapsM:LMGP12010710
XKZDBGZBWQVAEF-VARZBMSPSA-N 		CL(1'-[18:2(9Z,12Z)/18:0],3'-[18:2(9Z,12Z)/18:0])
1',3'-Bis-[1-(9Z,12Z-octadecadienoyl)-2-octadecanoyl-sn-glycero-3-phospho]-sn-glycerol
CL 72:4
CL(18:0_18:0_18:2_18:2)
CL(72:4)
hmdb:HMDB0058718
XKZDBGZBWQVAEF-VARZBMSPSA-N 		CL(18:2(9Z,12Z)/18:0/18:2(9Z,12Z)/18:0)
1'-[1-(9Z,12Z-Octadecadienoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Linoleoyl-2-stearoyl-sn-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
2-hydroxy-3-{[hydroxy((2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(octadecanoyloxy)propoxy)phosphoryl]oxy}propoxy((2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(octadecanoyloxy)propoxy)phosphinic acid
CL(1'-[18:2(9Z,12Z)/18:0],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
CL(18:2/18:0/18:2/18:2)
CL(72:6)
Cardiolipin(18:2/18:0/18:2/18:2)
Cardiolipin(72:6)
[2-hydroxy-3-({hydroxy[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(octadecanoyloxy)propoxy]phosphinic acid

hmdb:HMDB58718 		secondary/obsolete/fantasy identifier