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CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/16:0)

PropertiesImage
MNX_IDMNXM1106314 Image of MNXM1106314
referencehmdb:HMDB0056743
formulaC77H140O17P2
global charge0
mol weight1399.898
InChIKeyFJKRRNHETVSYEF-SSCSAAQJSA-N
InChIInChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36,40,48,52,71-73,78H,5-20,22-24,27-29,31-32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,34-33-,40-36-,52-48-/t71-,72-,73-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C77H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-40-44-48-52-56-60-64-77(82)94-73(68-88-75(80)62-58-54-50-46-42-38-31-27-23-19-15-11-7-3)70-92-96(85,86)90-66-71(78)65-89-95(83,84)91-69-72(93-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)67-87-74(79)61-57-53-49-45-41-37-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36,40,48,52,71-73,78H,5-20,22-24,27-29,31-32,35,37-39,41-47,49-51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,34-33-,40-36-,52-48-/t71-,72-,73-/m1/s1 Image of MNXM1106314
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:40]\[CH2:44]/[CH:48]=[CH:52]\[CH2:56][CH2:60][CH2:64][C:77](=[O:82])[O:94][C@H:73]([CH2:68][O:88][C:75]([CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:80])[CH2:70][O:92][P:96]([OH:85])(=[O:86])[O:90][CH2:66][C@@H:71]([CH2:65][O:89][P:95]([OH:83])(=[O:84])[O:91][CH2:69][C@@H:72]([CH2:67][O:87][C:74]([CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:79])[O:93][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:81])[OH:78]
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:HMDB0056743
FJKRRNHETVSYEF-SSCSAAQJSA-N 		CL(16:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/16:0)
(2R)-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-hexadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-dipalmitoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/20:4(5Z,8Z,11Z,14Z)],3'-[16:1(9Z)/16:1(9Z)])
CL(16:0/20:4/16:1/16:1)
CL(68:6)
Cardiolipin(16:0/20:4/16:1/16:1)
Cardiolipin(68:6)
[(2R)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid

hmdb:HMDB56743 		secondary/obsolete/fantasy identifier