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CL(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM120858 Image of MNXM120858
referencehmdb:HMDB0056533
formulaC87H146O17P2
global charge0
mol weight1526.056
InChIKeyZJSIEHPIJIQWQS-HKJCTOICSA-N
InChIInChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)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)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81-,82+,83+/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)CCCCCCCCCCCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2)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)73-69-65-61-57-53-49-44-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,48,50,52,54,60,62,64,66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-47,49,51,53,55-59,61,63,65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,52-48-,54-50-,64-60-,66-62-/t81-,82+,83+/m0/s1 Image of MNXM120858
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:38]/[CH:40]=[CH:42]\[CH2:45]/[CH:48]=[CH:52]\[CH2:56]/[CH:60]=[CH:64]\[CH2:68][CH2:72][C:85](=[O:90])[O:98][CH2:78][C@H:83]([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][CH2:61][CH2:57][CH2:53][CH2:49][CH2:44][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:91])[OH:88])[O:104][C:87]([CH2:74][CH2:70]/[CH:66]=[CH:62]\[CH2:58]/[CH:54]=[CH:50]\[CH2:46]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O: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:HMDB0056533
ZJSIEHPIJIQWQS-HKJCTOICSA-N 		CL(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy((2S)-3-{[(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-stearoyl-sn-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/18:0],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(16:0/18:0/22:6/22:6)
CL(78:12)
Cardiolipin(16:0/18:0/22:6/22:6)
Cardiolipin(78:12)
[(2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy][(2S)-3-({[(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000513816
slm:000513816
ZJSIEHPIJIQWQS-DIGBIYFZSA-L 		Cardiolipin (16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1'-[1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB56533 		secondary/obsolete/fantasy identifier