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CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM122835 Image of MNXM122835
referencehmdb:HMDB0058561
formulaC87H146O17P2
global charge0
mol weight1526.056
InChIKeyNLPLDALRMGSJTL-QMDAEYEJSA-N
InChIInChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,49-50,54,57,61-62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,49-45-,54-50-,61-57-,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)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C87H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-44-36-32-28-24-20-16-12-8-4)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-38,40,42-45,49-50,54,57,61-62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,39,41,46-48,51-53,55-56,58-60,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,37-33-,38-34-,42-40-,43-35-,44-36-,49-45-,54-50-,61-57-,66-62-/t81-,82+,83+/m0/s1 Image of MNXM122835
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:39]/[CH:40]=[CH:42]\[CH2:46]/[CH:50]=[CH:54]\[CH2:58]/[CH:62]=[CH: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][CH2:60][CH2:56][CH2:52][CH2:48]/[CH:44]=[CH:36]\[CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[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]/[CH:43]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:89])[O:103][C:86]([CH2:73][CH2:69][CH2:65]/[CH:61]=[CH:57]\[CH2:53]/[CH:49]=[CH:45]\[CH2:41]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[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:HMDB0058561
NLPLDALRMGSJTL-QMDAEYEJSA-N 		CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy((2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid
1'-[1-(9Z-Octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Oleoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-dioleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(9Z)/20:4(5Z,8Z,11Z,14Z)],3'-[18:1(9Z)/18:1(9Z)])
CL(18:1/20:4/18:1/18:1)
CL(74:7)
Cardiolipin(18:1/20:4/18:1/18:1)
Cardiolipin(74:7)
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy][(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid

SLM:000550212
slm:000550212
NLPLDALRMGSJTL-MXNWDVTMSA-L 		Cardiolipin (18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1'-[1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB58561 		secondary/obsolete/fantasy identifier