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CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

PropertiesImage
MNX_IDMNXM121046 Image of MNXM121046
referencehmdb:HMDB0056768
formulaC87H144O17P2
global charge0
mol weight1524.04
InChIKeyIYRIAFUPIHZFGV-KSFKJBQZSA-N
InChIInChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,40,43,45-46,48-50,52,57-58,60-62,64,81-83,88H,5-20,24,28-32,39,41-42,44,47,51,53-56,59,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,49-45-,50-46-,52-48-,61-57-,62-58-,64-60-/t81-,82+,83+/m0/s1
SMILESCCCCC/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)CCCCCCCCCCCCCCC)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/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,40,43,45-46,48-50,52,57-58,60-62,64,81-83,88H,5-20,24,28-32,39,41-42,44,47,51,53-56,59,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,49-45-,50-46-,52-48-,61-57-,62-58-,64-60-/t81-,82+,83+/m0/s1 Image of MNXM121046
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:39]/[CH:40]=[CH:43]\[CH2:44]/[CH:48]=[CH:52]\[CH2:56]/[CH:60]=[CH:64]\[CH2:68][CH2:72][C:85](=[O:90])[O:98][CH2:78][C@H:83]([CH2:80][O:102][P:106]([OH:95])(=[O:96])[O:100][CH2:76][C@H:81]([CH2:75][O:99][P:105]([OH:93])(=[O:94])[O:101][CH2:79][C@@H:82]([CH2:77][O:97][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89])[O:103][C:86]([CH2:73][CH2:69][CH2:65]/[CH:61]=[CH:57]\[CH2:53]/[CH:49]=[CH:45]\[CH2:41]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:91])[OH:88])[O:104][C:87]([CH2:74][CH2:70][CH2:66]/[CH:62]=[CH:58]\[CH2:54]/[CH:50]=[CH:46]\[CH2:42]/[CH:38]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:92]
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:HMDB0056768
IYRIAFUPIHZFGV-KSFKJBQZSA-N 		CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
(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((2S)-3-{[(2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-diosbondoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/20:4(5Z,8Z,11Z,14Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)])
CL(16:0/20:4/22:5/22:5)
CL(80:14)
Cardiolipin(16:0/20:4/22:5/22:5)
Cardiolipin(80:14)
[(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][(2S)-3-({[(2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000516941
slm:000516941
IYRIAFUPIHZFGV-QIVOIVQNSA-L 		Cardiolipin (16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
1'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

hmdb:HMDB56768 		secondary/obsolete/fantasy identifier