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

PropertiesImage
MNX_IDMNXM122455 Image of MNXM122455
referencehmdb:HMDB0058180
formulaC89H146O17P2
global charge0
mol weight1550.078
InChIKeyWGWGTXJVFJEIJW-CISZAAKBSA-N
InChIInChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,47-48,50-52,54,59-60,63-64,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45-46,49,53,55-58,61-62,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-/t83-,84+,85+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)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/C89H146O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-46-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(79-99-86(91)73-69-65-61-57-53-49-45-36-32-28-24-20-16-12-8-4)105-88(93)75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-28,32-35,37-39,41,44,47-48,50-52,54,59-60,63-64,83-85,90H,5-8,10-12,14-20,24,29-31,36,40,42-43,45-46,49,53,55-58,61-62,65-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-,44-41-,51-47-,52-48-,54-50-,63-59-,64-60-/t83-,84+,85+/m0/s1 Image of MNXM122455
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:41]=[CH:44]\[CH2:46]/[CH:50]=[CH:54]\[CH2:58][CH2:62][CH2:66][CH2:70][CH2:74][C:87](=[O:92])[O:100][CH2:80][C@H:85]([CH2:82][O:104][P:108]([OH:97])(=[O:98])[O:102][CH2:78][C@H:83]([CH2:77][O:101][P:107]([OH:95])(=[O:96])[O:103][CH2:81][C@@H:84]([CH2:79][O:99][C:86]([CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:36]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:91])[O:105][C:88]([CH2:75][CH2:71][CH2:67]/[CH:63]=[CH:59]\[CH2:55]/[CH:51]=[CH:47]\[CH2:42]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:93])[OH:90])[O:106][C:89]([CH2:76][CH2:72][CH2:68]/[CH:64]=[CH:60]\[CH2:56]/[CH:52]=[CH:48]\[CH2:43]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:94]
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:HMDB0058180
WGWGTXJVFJEIJW-CISZAAKBSA-N 		CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy((2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid
1'-[1-(11Z-Octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Vaccenoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/20:4(5Z,8Z,11Z,14Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(18:1/20:4/22:5/22:5)
CL(82:15)
Cardiolipin(18:1/20:4/22:5/22:5)
Cardiolipin(82:15)
[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid

SLM:000546791
slm:000546791
WGWGTXJVFJEIJW-BSLHDFNYSA-L 		Cardiolipin (18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
1'-[1-(11Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))

hmdb:HMDB58180 		secondary/obsolete/fantasy identifier