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

PropertiesImage
MNX_IDMNXM123354 Image of MNXM123354
referencehmdb:HMDB0059080
formulaC91H144O17P2
global charge0
mol weight1572.084
InChIKeyNWVARVKYFADRQJ-PCGNYRNHSA-N
InChIInChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,42,46-49,51-54,58-61,63-66,70,85-87,92H,5-20,29-32,41,43-45,50,55-57,62,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,46-42-,51-47-,52-48-,53-49-,58-54-,63-59-,64-60-,65-61-,70-66-/t85-,86+,87+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC/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)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-42-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-49-45-40-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-47-43-38-34-30-26-22-18-14-10-6-2/h21-28,33-40,42,46-49,51-54,58-61,63-66,70,85-87,92H,5-20,29-32,41,43-45,50,55-57,62,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,46-42-,51-47-,52-48-,53-49-,58-54-,63-59-,64-60-,65-61-,70-66-/t85-,86+,87+/m0/s1 Image of MNXM123354
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:41]/[CH:42]=[CH:46]\[CH2:50]/[CH:54]=[CH:58]\[CH2:62]/[CH:66]=[CH:70]\[CH2:74][CH2:78][C:91](=[O:96])[O:108][C@H:87]([CH2:82][O:102][C:89]([CH2:76][CH2:72][CH2:68]/[CH:64]=[CH:60]\[CH2:56]/[CH:52]=[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:94])[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:47]\[CH2:43]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:93])[O:107][C:90]([CH2:77][CH2:73][CH2:69]/[CH:65]=[CH:61]\[CH2:57]/[CH:53]=[CH:49]\[CH2:45]/[CH:40]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:95])[OH: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:HMDB0059080
NWVARVKYFADRQJ-PCGNYRNHSA-N 		CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
(2S)-3-{[(2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy)phosphinic acid
1'-[1,2-Di(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycero-3-phospho],3'-[1,2-di(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Diarachidonoyl-rac-glycero-3-phospho],3'-[1,2-diarachidonoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)],3'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)])
CL(20:4/20:4/20:4/20:4)
CL(80:16)
Cardiolipin(20:4/20:4/20:4/20:4)
Cardiolipin(80:16)
[(2S)-3-({[(2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid

SLM:000587746
slm:000587746
NWVARVKYFADRQJ-XLUZUAAISA-L 		Cardiolipin (20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1'-[1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))

hmdb:HMDB59080 		secondary/obsolete/fantasy identifier