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CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))

PropertiesImage
MNX_IDMNXM122448 Image of MNXM122448
referencehmdb:HMDB0058173
formulaC87H148O17P2
global charge0
mol weight1528.072
InChIKeySNPDDCODLKGYOA-UTVYOZKNSA-N
InChIInChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81-,82-,83-/m1/s1
SMILESCCCCC/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)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C87H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2/h21-22,25-28,31-34,37-38,40,42,46,48,50,52,58,60,62,64,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-45,47,49,51,53-57,59,61,63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,50-46-,52-48-,62-58-,64-60-/t81-,82-,83-/m1/s1 Image of MNXM122448
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:39]/[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: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]([CH2:77][O:97][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:35]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:89])[O:104][C:87]([CH2:74][CH2:70][CH2:66]/[CH:62]=[CH:58]\[CH2:54]/[CH:50]=[CH:46]\[CH2:41]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:92])[OH:88])[O:103][C:86]([CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:44][CH2:36]/[CH:32]=[CH: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:HMDB0058173
SNPDDCODLKGYOA-UTVYOZKNSA-N 		CL(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))
(2R)-3-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid
1'-[1-(11Z-Octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Vaccenoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-diosbondoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/20:4(5Z,8Z,11Z,14Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)])
CL(18:1/20:4/22:5/22:5)
CL(82:15)
Cardiolipin(18:1/20:4/22:5/22:5)
Cardiolipin(82:15)
[(2R)-3-({[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid

SLM:000549979
slm:000549979
SNPDDCODLKGYOA-XYGQXHAZSA-L 		Cardiolipin (18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))
1'-[1-(11Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))

hmdb:HMDB58173 		secondary/obsolete/fantasy identifier