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

PropertiesImage
MNX_IDMNXM122947 Image of MNXM122947
referencehmdb:HMDB0058673
formulaC91H144O17P2
global charge0
mol weight1572.084
InChIKeyMJXSFFWMSSZZDR-KPAIOXQSSA-N
InChIInChI=1S/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-48,52-54,57-58,60,64-66,69-70,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,49-51,55-56,59,61-63,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,52-48-,57-53-,58-54-,64-60-,69-65-,70-66-/t85-,86+,87+/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)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)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/C91H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-49-53-57-61-65-69-73-77-90(95)107-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(82-102-89(94)76-72-68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-39,42-43,45-48,52-54,57-58,60,64-66,69-70,85-87,92H,5-8,11-12,15-20,24,28-32,40-41,44,49-51,55-56,59,61-63,67-68,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,52-48-,57-53-,58-54-,64-60-,69-65-,70-66-/t85-,86+,87+/m0/s1 Image of MNXM122947
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:40]/[CH:42]=[CH:45]\[CH2:49]/[CH:53]=[CH:57]\[CH2:61]/[CH:65]=[CH:69]\[CH2:73][CH2:77][C:90](=[O:95])[O:107][C@H:86]([CH2:81][O:101][C:88]([CH2:75][CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51]/[CH:47]=[CH:36]\[CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:93])[CH2:83][O:105][P:109]([OH:97])(=[O:98])[O:103][CH2:79][C@@H:85]([CH2:80][O:104][P:110]([OH:99])(=[O:100])[O:106][CH2:84][C@@H:87]([CH2:82][O:102][C:89]([CH2:76][CH2:72][CH2:68]/[CH:64]=[CH:60]\[CH2:56]/[CH:52]=[CH:48]\[CH2:44]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:94])[O:108][C:91]([CH2:78][CH2:74]/[CH:70]=[CH:66]\[CH2:62]/[CH:58]=[CH:54]\[CH2:50]/[CH:46]=[CH:43]\[CH2:41]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O:96])[OH: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:HMDB0058673
MJXSFFWMSSZZDR-KPAIOXQSSA-N 		CL(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/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-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy((2S)-3-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(9Z-Octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1,2-di(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Oleoyl-2-docosahexaenoyl-sn-glycero-3-phospho],3'-[1,2-diarachidonoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)],3'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)])
CL(18:1/22:6/20:4/20:4)
CL(80:15)
Cardiolipin(18:1/22:6/20:4/20:4)
Cardiolipin(80:15)
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][(2S)-3-({[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000554495
slm:000554495
MJXSFFWMSSZZDR-QXMFXKNHSA-L 		Cardiolipin (18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1'-[1-(9Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB58673 		secondary/obsolete/fantasy identifier