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CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)

PropertiesImage
MNX_IDMNXM123576 Image of MNXM123576
referencehmdb:HMDB0059302
formulaC87H146O17P2
global charge0
mol weight1526.056
InChIKeySOMSFDCAFPQAAR-KHUDKMGCSA-N
InChIInChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-37,40-44,48-49,51-52,60,64,81-83,88H,5-8,10-12,14-20,24,28-32,38-39,45-47,50,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,64-60-/t81-,82-,83-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-48-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-44-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-49-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-37,40-44,48-49,51-52,60,64,81-83,88H,5-8,10-12,14-20,24,28-32,38-39,45-47,50,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,42-40-,43-41-,44-35-,51-48-,52-49-,64-60-/t81-,82-,83-/m1/s1 Image of MNXM123576
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:51]\[CH2:55][CH2:59][CH2:63][CH2:67][CH2:71][C:84](=[O:89])[O:97][CH2:77][C@H:82]([CH2:79][O:101][P:105]([OH:93])(=[O:94])[O:99][CH2:75][C@H:81]([CH2:76][O:100][P:106]([OH:95])(=[O:96])[O:102][CH2:80][C@@H:83]([CH2:78][O:98][C:85]([CH2:72][CH2:68]/[CH:64]=[CH:60]\[CH2:56]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:90])[O:104][C:87]([CH2:74][CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50]/[CH:44]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:92])[OH:88])[O:103][C:86]([CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:47][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:91]
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:HMDB0059302
SOMSFDCAFPQAAR-KHUDKMGCSA-N 		CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)
(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy((2R)-3-{[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Osbondoyl-2-linoleoyl-sn-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(22:5/18:2/22:5/22:5)
CL(84:17)
Cardiolipin(22:5/18:2/22:5/22:5)
Cardiolipin(84:17)
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-Docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][(2R)-3-({[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinate
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][(2R)-3-({[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000576106
slm:000576106
SOMSFDCAFPQAAR-WTRAABETSA-L 		Cardiolipin (22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol
CL (22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)

hmdb:HMDB59302 		secondary/obsolete/fantasy identifier