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Cardiolipin (18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))

PropertiesImage
MNX_IDMNXM122420 Image of MNXM122420
referenceslm:000544428
formulaC85H144O17P2
global charge-2
mol weight1500.018
InChIKeyVATFNOLAFLBQQK-ADIOJZIJSA-L
InChIInChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,43-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,29-30,35-36,39-42,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/p-2/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,47-43-,48-44-,59-55-,60-56-/t80-,81-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,43-44,47-48,55-56,59-60,79-81,86H,5-20,23-24,29-30,35-36,39-42,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,47-43-,48-44-,59-55-,60-56-/t80-,81-/m1/s1 Image of MNXM122420
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:39]/[CH:43]=[CH:47]\[CH2:51]/[CH:55]=[CH:59]\[CH2:63][CH2:67][CH2:71][C:84](=[O:89])[O:101][C@H:80]([CH2:75][O:95][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:35]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:87])[CH2:77][O:99][P:103]([OH:91])(=[O:92])[O:97][CH2:73][CH:79]([CH2:74][O:98][P:104]([OH:93])(=[O:94])[O:100][CH2:78][C@@H:81]([CH2:76][O:96][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:36]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:88])[O:102][C:85]([CH2:72][CH2:68][CH2:64]/[CH:60]=[CH:56]\[CH2:52]/[CH:48]=[CH:44]\[CH2:40]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:90])[OH:86]
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:000544428
slm:000544428
VATFNOLAFLBQQK-ADIOJZIJSA-L 		Cardiolipin (18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
1',3'-Bis-[1-(11Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL (18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
hmdb:HMDB0058145
VATFNOLAFLBQQK-ADIOJZIJSA-N 		CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
1'-[1-(11Z-Octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(11Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Vaccenoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
2-hydroxy-3-{[hydroxy((2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy)phosphoryl]oxy}propoxy((2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid
CL(1'-[18:1(11Z)/20:4(5Z,8Z,11Z,14Z)],3'-[18:1(11Z)/18:1(11Z)])
CL(18:1/20:4/18:1/18:1)
CL(74:7)
Cardiolipin(18:1/20:4/18:1/18:1)
Cardiolipin(74:7)
[2-hydroxy-3-({hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid

hmdb:HMDB58145 		secondary/obsolete/fantasy identifier