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Cardiolipin (16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

PropertiesImage
MNX_IDMNXM121481 Image of MNXM121481
referenceslm:000531608
formulaC81H136O17P2
global charge-2
mol weight1443.91
InChIKeyDGYIHJBSTNRMQW-OAIXPRSZSA-L
InChIInChI=1S/C81H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,39-40,43-44,51-52,55-56,75-77,82H,5-20,23-24,29-30,37-38,41-42,45-50,53-54,57-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,43-39-,44-40-,55-51-,56-52-/t76-,77-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C81H138O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-43-47-51-55-59-63-67-80(85)97-76(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-92-79(84)66-62-58-54-50-46-42-32-28-24-20-16-12-8-4)98-81(86)68-64-60-56-52-48-44-40-38-36-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-36,39-40,43-44,51-52,55-56,75-77,82H,5-20,23-24,29-30,37-38,41-42,45-50,53-54,57-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,43-39-,44-40-,55-51-,56-52-/t76-,77-/m1/s1 Image of MNXM121481
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:37]/[CH:39]=[CH:43]\[CH2:47]/[CH:51]=[CH:55]\[CH2:59][CH2:63][CH2:67][C:80](=[O:85])[O:97][C@H:76]([CH2:71][O:91][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:83])[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:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:84])[O:98][C:81]([CH2:68][CH2:64][CH2:60]/[CH:56]=[CH:52]\[CH2:48]/[CH:44]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:86])[OH:82]
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:000531608
slm:000531608
DGYIHJBSTNRMQW-OAIXPRSZSA-L 		Cardiolipin (16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
1',3'-Bis-[1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL (16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
hmdb:HMDB0057690
DGYIHJBSTNRMQW-OAIXPRSZSA-N 		CL(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy(3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(9Z-Hexadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-hexadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoleoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-dipalmitoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/20:4(5Z,8Z,11Z,14Z)],3'-[16:1(9Z)/16:1(9Z)])
CL(16:1/20:4/16:1/16:1)
CL(68:7)
Cardiolipin(16:1/20:4/16:1/16:1)
Cardiolipin(68:7)
[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

hmdb:HMDB57690 		secondary/obsolete/fantasy identifier