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CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM123288 Image of MNXM123288
referencehmdb:HMDB0058995
formulaC91H150O17P2
global charge0
mol weight1578.132
InChIKeyRGUIVARXUDSOLR-YWTWHOGSSA-N
InChIInChI=1S/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,68,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-/t85-,86+,87+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C91H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-39-35-31-27-23-19-15-11-7-3/h10,14,21-23,25-27,33-35,37-39,42-43,45-46,48,51-52,54,56,58-59,63-64,68,85-87,92H,5-9,11-13,15-20,24,28-32,36,40-41,44,47,49-50,53,55,57,60-62,65-67,69-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,51-48-,56-52-,58-54-,63-59-,68-64-/t85-,86+,87+/m0/s1 Image of MNXM123288
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:40]/[CH:42]=[CH:45]\[CH2:49]/[CH:52]=[CH:56]\[CH2:60]/[CH:64]=[CH:68]\[CH2:72][CH2:76][C:89](=[O:94])[O:102][CH2:82][C@H:87]([CH2:84][O:106][P:110]([OH:99])(=[O:100])[O:104][CH2:80][C@H:85]([CH2:79][O:103][P:109]([OH:97])(=[O:98])[O:105][CH2:83][C@@H:86]([CH2:81][O:101][C:88]([CH2:75][CH2:71][CH2:67]/[CH:63]=[CH:59]\[CH2:55]/[CH:51]=[CH:48]\[CH2:44]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:93])[O:107][C:90]([CH2:77][CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:47][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:95])[OH:92])[O:108][C:91]([CH2:78][CH2:74][CH2:70][CH2:66][CH2:62]/[CH:58]=[CH:54]\[CH2:50]/[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:96]
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:HMDB0058995
RGUIVARXUDSOLR-YWTWHOGSSA-N 		CL(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy((2S)-2-hydroxy-3-{[hydroxy((2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-(octadecanoyloxy)propoxy)phosphoryl]oxy}propoxy)phosphinic acid
1'-[1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Arachidonoyl-2-stearoyl-sn-glycero-3-phospho],3'-[1,2-diosbondoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[20:4(5Z,8Z,11Z,14Z)/18:0],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)])
CL(20:4/18:0/22:5/22:5)
CL(82:14)
Cardiolipin(20:4/18:0/22:5/22:5)
Cardiolipin(82:14)
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy][(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphinic acid

SLM:000588181
slm:000588181
RGUIVARXUDSOLR-URAGCFLNSA-L 		Cardiolipin (20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB58995 		secondary/obsolete/fantasy identifier