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CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)

PropertiesImage
MNX_IDMNXM121053 Image of MNXM121053
referencehmdb:HMDB0056775
formulaC83H142O17P2
global charge0
mol weight1473.98
InChIKeyOPEJFTUNMAUYPK-BJXTUIINSA-N
InChIInChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77-,78-,79-/m1/s1
SMILESCC/C=C\C/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)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C83H142O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-36,38,40,42,45-46,48,54,56,58,60,77-79,84H,5-8,10-12,14-20,23-24,27-32,37,39,41,43-44,47,49-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-,60-56-/t77-,78-,79-/m1/s1 Image of MNXM121053
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:37]/[CH:38]=[CH:40]\[CH2:41]/[CH:45]=[CH:48]\[CH2:52]/[CH:56]=[CH:60]\[CH2:64][CH2:68][C:81](=[O:86])[O:94][CH2:74][C@H:78]([CH2:75][O:97][P:101]([OH:89])(=[O:90])[O:95][CH2:71][C@H:77]([CH2:72][O:96][P:102]([OH:91])(=[O:92])[O:98][CH2:76][C@@H:79]([CH2:73][O:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:85])[O:100][C:83]([CH2:70][CH2:66][CH2:62]/[CH:58]=[CH:54]\[CH2:50]/[CH:46]=[CH:42]\[CH2:39]/[CH:36]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:88])[OH:84])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:44][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:87]
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:HMDB0056775
OPEJFTUNMAUYPK-BJXTUIINSA-N 		CL(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)
(2R)-3-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-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(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/20:4(5Z,8Z,11Z,14Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(16:0/20:4/22:6/22:6)
CL(80:16)
Cardiolipin(16:0/20:4/22:6/22:6)
Cardiolipin(80:16)
[(2R)-3-({[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-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

SLM:000514124
slm:000514124
OPEJFTUNMAUYPK-LBXDDYCPSA-L 		Cardiolipin (16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)
1'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol
CL (16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)

hmdb:HMDB56775 		secondary/obsolete/fantasy identifier