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CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

PropertiesImage
MNX_IDMNXM120757 Image of MNXM120757
referencehmdb:HMDB0056479
formulaC79H140O17P2
global charge0
mol weight1423.92
InChIKeyVFUWUETXONMSSE-LIEXFVKGSA-N
InChIInChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,26-27,29-31,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,32-28-,34-33-,37-36-,44-42-,56-52-/t73-,74+,75+/m0/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)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C79H140O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-41-32-28-24-20-16-12-8-4)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h9,13,21,25,28,32-34,36-37,42,44,52,56,73-75,80H,5-8,10-12,14-20,22-24,26-27,29-31,35,38-41,43,45-51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,25-21-,32-28-,34-33-,37-36-,44-42-,56-52-/t73-,74+,75+/m0/s1 Image of MNXM120757
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38]/[CH:42]=[CH:44]\[CH2:48]/[CH:52]=[CH:56]\[CH2:60][CH2:64][C:77](=[O:82])[O:90][CH2:70][C@H:75]([CH2:72][O:94][P:98]([OH:87])(=[O:88])[O:92][CH2:68][C@H:73]([CH2:67][O:91][P:97]([OH:85])(=[O:86])[O:93][CH2:71][C@@H:74]([CH2:69][O:89][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:81])[O:95][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:40][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:83])[OH:80])[O:96][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:41]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:84]
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:HMDB0056479
VFUWUETXONMSSE-LIEXFVKGSA-N 		CL(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
(2S)-3-{[(2R)-2,3-bis(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy)phosphinic acid
1'-[1,2-Dihexadecanoyl-rac-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Dipalmitoyl-rac-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/16:0],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(16:0/16:0/22:6/22:6)
CL(76:12)
Cardiolipin(16:0/16:0/22:6/22:6)
Cardiolipin(76:12)
[(2S)-3-({[(2R)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy]phosphinic acid

SLM:000513787
slm:000513787
VFUWUETXONMSSE-JMEFHOGNSA-L 		Cardiolipin (16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
1'-[1,2-di-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

hmdb:HMDB56479 		secondary/obsolete/fantasy identifier