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CL(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM122246 Image of MNXM122246
referencehmdb:HMDB0057930
formulaC89H148O17P2
global charge0
mol weight1552.094
InChIKeyTUCIJKGDNPOTRM-JMIONUQSSA-N
InChIInChI=1S/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83-,84+,85+/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)CCCCCCCCC/C=C\CCCCCC)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/C89H148O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-43-47-50-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-42-40-38-34-30-26-22-18-14-10-6-2)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-46-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-45-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-27,31,33-34,37-38,41-44,50,52,54,56,62,64,66,68,83-85,90H,5-8,11-12,15-20,23-24,28-30,32,35-36,39-40,45-49,51,53,55,57-61,63,65,67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,14-10-,25-21-,26-22-,31-27-,37-33-,38-34-,43-41-,44-42-,54-50-,56-52-,66-62-,68-64-/t83-,84+,85+/m0/s1 Image of MNXM122246
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:41]=[CH:43]\[CH2:47]/[CH:50]=[CH:54]\[CH2:58]/[CH:62]=[CH:66]\[CH2:70][CH2:74][C:87](=[O:92])[O:100][CH2:80][C@H:85]([CH2:82][O:104][P:108]([OH:97])(=[O:98])[O:102][CH2:78][C@H:83]([CH2:77][O:101][P:107]([OH:95])(=[O:96])[O:103][CH2:81][C@@H:84]([CH2:79][O:99][C:86]([CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:35]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:91])[O:105][C:88]([CH2:75][CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:46][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:93])[OH:90])[O:106][C:89]([CH2:76][CH2:72]/[CH:68]=[CH:64]\[CH2:60]/[CH:56]=[CH:52]\[CH2:48]/[CH:44]=[CH:42]\[CH2:40]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O:94]
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:HMDB0057930
TUCIJKGDNPOTRM-JMIONUQSSA-N 		CL(18:1(11Z)/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)-2-hydroxy-3-{[hydroxy((2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy)phosphoryl]oxy}propoxy)phosphinic acid
1'-[1-(11Z-Octadecenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Vaccenoyl-2-stearoyl-sn-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/18:0],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(18:1/18:0/22:6/22:6)
CL(80:13)
Cardiolipin(18:1/18:0/22:6/22:6)
Cardiolipin(80:13)
[(2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy][(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphinic acid

SLM:000546866
slm:000546866
TUCIJKGDNPOTRM-WOILWQOCSA-L 		Cardiolipin (18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1'-[1-(11Z-octadecenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB57930 		secondary/obsolete/fantasy identifier