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CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))

PropertiesImage
MNX_IDMNXM123825 Image of MNXM123825
referencehmdb:HMDB0059551
formulaC91H144O17P2
global charge0
mol weight1572.084
InChIKeyOCHKGRFVYZHHRY-UVJFMSMFSA-N
InChIInChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-47,50-52,54-56,62-64,66-68,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,48-49,53,57-61,65,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,54-50-,55-51-,56-52-,66-62-,67-63-,68-64-/t85-,86+,87+/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)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-51-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-44-39-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-52-49-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-47,50-52,54-56,62-64,66-68,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,48-49,53,57-61,65,69-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,54-50-,55-51-,56-52-,66-62-,67-63-,68-64-/t85-,86+,87+/m0/s1 Image of MNXM123825
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:40]/[CH:42]=[CH:45]\[CH2:48]/[CH:51]=[CH:55]\[CH2:59]/[CH:63]=[CH:67]\[CH2:71][CH2:75][C:88](=[O:93])[O:101][CH2:81][C@H:86]([CH2:83][O:105][P:109]([OH:97])(=[O:98])[O:103][CH2:79][C@@H:85]([CH2:80][O:104][P:110]([OH:99])(=[O:100])[O:106][CH2:84][C@@H:87]([CH2:82][O:102][C:89]([CH2:76][CH2:72]/[CH:68]=[CH:64]\[CH2:60]/[CH:56]=[CH:52]\[CH2:49]/[CH:46]=[CH:43]\[CH2:41]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O:94])[O:108][C:91]([CH2:78][CH2:74][CH2:70]/[CH:66]=[CH:62]\[CH2:58]/[CH:54]=[CH:50]\[CH2:44]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:96])[OH:92])[O:107][C:90]([CH2:77][CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53]/[CH:47]=[CH:36]\[CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:95]
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:HMDB0059551
OCHKGRFVYZHHRY-UVJFMSMFSA-N 		CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/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,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Docosahexaenoyl-2-oleoyl-sn-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(22:6/18:1/22:6/22:6)
CL(84:19)
Cardiolipin(22:6/18:1/22:6/22:6)
Cardiolipin(84:19)
[(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,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000576609
slm:000576609
OCHKGRFVYZHHRY-ZPZRUBNWSA-L 		Cardiolipin (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
1'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-octadecenoyl)-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 (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))

hmdb:HMDB59551 		secondary/obsolete/fantasy identifier