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

PropertiesImage
MNX_IDMNXM121043 Image of MNXM121043
referencehmdb:HMDB0056765
formulaC87H144O17P2
global charge0
mol weight1524.04
InChIKeyLWSXJFSCGCQSHE-ZUHPYVQTSA-N
InChIInChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-38,40,43-45,48-50,54,56-57,60-61,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,46-47,51-53,55,58-59,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-/t81-,82+,83+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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)CCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C87H144O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-42-38-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-38,40,43-45,48-50,54,56-57,60-61,81-83,88H,5-8,10-12,14-20,24,28-32,39,41-42,46-47,51-53,55,58-59,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,43-40-,48-44-,49-45-,54-50-,60-56-,61-57-/t81-,82+,83+/m0/s1 Image of MNXM121043
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:39]/[CH:40]=[CH:43]\[CH2:46]/[CH:50]=[CH:54]\[CH2:58][CH2:62][CH2:66][CH2:70][CH2:74][C:87](=[O:92])[O:104][C@H:83]([CH2:78][O:98][C:85]([CH2:72][CH2:68][CH2:64]/[CH:60]=[CH:56]\[CH2:52]/[CH:48]=[CH:44]\[CH2:41]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:90])[CH2:80][O:102][P:106]([OH:95])(=[O:96])[O:100][CH2:76][C@H:81]([CH2:75][O:99][P:105]([OH:93])(=[O:94])[O:101][CH2:79][C@@H:82]([CH2:77][O:97][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89])[O:103][C:86]([CH2:73][CH2:69][CH2:65]/[CH:61]=[CH:57]\[CH2:53]/[CH:49]=[CH:45]\[CH2:42]/[CH:38]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:91])[OH:88]
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:HMDB0056765
LWSXJFSCGCQSHE-ZUHPYVQTSA-N 		CL(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(2R)-3-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]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(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-diarachidonoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/20:4(5Z,8Z,11Z,14Z)],3'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)])
CL(16:0/20:4/20:4/20:4)
CL(76:12)
Cardiolipin(16:0/20:4/20:4/20:4)
Cardiolipin(76:12)
[(2R)-3-({[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid

SLM:000516135
slm:000516135
LWSXJFSCGCQSHE-CIQNEHCRSA-L 		Cardiolipin (16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB56765 		secondary/obsolete/fantasy identifier