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

PropertiesImage
MNX_IDMNXM123604 Image of MNXM123604
referencehmdb:HMDB0059330
formulaC93H144O17P2
global charge0
mol weight1596.106
InChIKeyVZVMSZCBWOKUIV-CZWRLOABSA-N
InChIInChI=1S/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)84-104-91(96)78-74-70-66-62-58-54-50-48-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,43-44,47-48,51-58,63-70,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,49-50,59-62,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,55-51-,56-52-,57-53-,58-54-,67-63-,68-64-,69-65-,70-66-/t87-,88-,89-/m1/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\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C93H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-49-53-57-61-65-69-73-77-90(95)103-83-88(109-92(97)79-75-71-67-63-59-55-51-45-39-35-31-27-23-19-15-11-7-3)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(110-93(98)80-76-72-68-64-60-56-52-46-40-36-32-28-24-20-16-12-8-4)84-104-91(96)78-74-70-66-62-58-54-50-48-44-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-28,33-40,43-44,47-48,51-58,63-70,87-89,94H,5-8,10-12,14-20,29-32,41-42,45-46,49-50,59-62,71-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,55-51-,56-52-,57-53-,58-54-,67-63-,68-64-,69-65-,70-66-/t87-,88-,89-/m1/s1 Image of MNXM123604
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:43]=[CH:47]\[CH2:49]/[CH:53]=[CH:57]\[CH2:61]/[CH:65]=[CH:69]\[CH2:73][CH2:77][C:90](=[O:95])[O:103][CH2:83][C@H:88]([CH2:85][O:107][P:111]([OH:99])(=[O:100])[O:105][CH2:81][C@H:87]([CH2:82][O:106][P:112]([OH:101])(=[O:102])[O:108][CH2:86][C@@H:89]([CH2:84][O:104][C:91]([CH2:78][CH2:74]/[CH:70]=[CH:66]\[CH2:62]/[CH:58]=[CH:54]\[CH2:50]/[CH:48]=[CH:44]\[CH2:42]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:96])[O:110][C:93]([CH2:80][CH2:76][CH2:72]/[CH:68]=[CH:64]\[CH2:60]/[CH:56]=[CH:52]\[CH2:46]/[CH:40]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:98])[OH:94])[O:109][C:92]([CH2:79][CH2:75][CH2:71]/[CH:67]=[CH:63]\[CH2:59]/[CH:55]=[CH:51]\[CH2:45]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:97]
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:HMDB0059330
VZVMSZCBWOKUIV-CZWRLOABSA-N 		CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
(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((2S)-3-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-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-Osbondoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(22:5/20:4/22:6/22:6)
CL(86:21)
Cardiolipin(22:5/20:4/22:6/22:6)
Cardiolipin(86:21)
[(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][(2S)-3-({[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000579460
slm:000579460
VZVMSZCBWOKUIV-BTOFEUFQSA-L 		Cardiolipin (22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-glycerol
CL (22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))

hmdb:HMDB59330 		secondary/obsolete/fantasy identifier