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CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM123836 Image of MNXM123836
referencehmdb:HMDB0059562
formulaC95H144O17P2
global charge0
mol weight1620.128
InChIKeyZQNNITIYQYKVGV-OGWKDGBFSA-N
InChIInChI=1S/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-69,71-72,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66,70,73-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-/t89-,90+,91+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C95H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-69,71-72,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66,70,73-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-/t89-,90+,91+/m0/s1 Image of MNXM123836
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:41]/[CH:44]=[CH:48]\[CH2:51]/[CH:55]=[CH:59]\[CH2:63]/[CH:67]=[CH:71]\[CH2:75][CH2:79][C:92](=[O:97])[O:105][CH2:85][C@H:90]([CH2:87][O:109][P:113]([OH:101])(=[O:102])[O:107][CH2:83][C@@H:89]([CH2:84][O:108][P:114]([OH:103])(=[O:104])[O:110][CH2:88][C@@H:91]([CH2:86][O:106][C:93]([CH2:80][CH2:76]/[CH:72]=[CH:68]\[CH2:64]/[CH:60]=[CH:56]\[CH2:52]/[CH:49]=[CH:45]\[CH2:42]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O:98])[O:112][C:95]([CH2:82][CH2:78][CH2:74][CH2:70][CH2:66]/[CH:62]=[CH:58]\[CH2:54]/[CH:50]=[CH:46]\[CH2:43]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19]/[CH:15]=[CH:11]\[CH2:7][CH3:3])=[O:100])[OH:96])[O:111][C:94]([CH2:81][CH2:77][CH2:73]/[CH:69]=[CH:65]\[CH2:61]/[CH:57]=[CH:53]\[CH2:47]/[CH:40]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:99]
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:HMDB0059562
ZQNNITIYQYKVGV-OGWKDGBFSA-N 		CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy((2R)-3-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Docosahexaenoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(22:6/20:4/22:6/22:6)
CL(86:22)
Cardiolipin(22:6/20:4/22:6/22:6)
Cardiolipin(86:22)
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][(2R)-3-({[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000576664
slm:000576664
ZQNNITIYQYKVGV-MHWAFYKYSA-L 		Cardiolipin (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB59562 		secondary/obsolete/fantasy identifier