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CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))

PropertiesImage
MNX_IDMNXM122111 Image of MNXM122111
referencehmdb:HMDB0057396
formulaC93H150O17P2
global charge0
mol weight1602.154
InChIKeyLUSRHGFXSAENBI-QWSLXCJKSA-N
InChIInChI=1S/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87-,88+,89+/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)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C93H150O17P2/c1-5-9-13-17-21-25-29-33-37-40-43-46-50-54-58-62-66-70-74-78-91(96)104-84-89(110-93(98)80-76-72-68-64-60-56-52-48-45-42-39-35-31-27-23-19-15-11-7-3)86-108-112(101,102)106-82-87(94)81-105-111(99,100)107-85-88(83-103-90(95)77-73-69-65-61-57-53-49-36-32-28-24-20-16-12-8-4)109-92(97)79-75-71-67-63-59-55-51-47-44-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-23,25-27,33-35,37-39,43-48,54-56,58-60,67-68,71-72,87-89,94H,5-8,11-12,15-20,24,28-32,36,40-42,49-53,57,61-66,69-70,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,37-33-,38-34-,39-35-,46-43-,47-44-,48-45-,58-54-,59-55-,60-56-,71-67-,72-68-/t87-,88+,89+/m0/s1 Image of MNXM122111
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:43]=[CH:46]\[CH2:50]/[CH:54]=[CH:58]\[CH2:62][CH2:66][CH2:70][CH2:74][CH2:78][C:91](=[O:96])[O:104][CH2:84][C@H:89]([CH2:86][O:108][P:112]([OH:101])(=[O:102])[O:106][CH2:82][C@H:87]([CH2:81][O:105][P:111]([OH:99])(=[O:100])[O:107][CH2:85][C@@H:88]([CH2:83][O:103][C:90]([CH2:77][CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:95])[O:109][C:92]([CH2:79][CH2:75]/[CH:71]=[CH:67]\[CH2:63]/[CH:59]=[CH:55]\[CH2:51]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O:97])[OH:94])[O:110][C:93]([CH2:80][CH2:76]/[CH:72]=[CH:68]\[CH2:64]/[CH:60]=[CH:56]\[CH2:52]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:98]
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:HMDB0057396
LUSRHGFXSAENBI-QWSLXCJKSA-N 		CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
(2S)-3-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy)phosphinic acid
1'-[1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(18:0/22:6/22:5/22:5)
CL(84:16)
Cardiolipin(18:0/22:6/22:5/22:5)
Cardiolipin(84:16)
[(2S)-3-({[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy]phosphinic acid

SLM:000521053
slm:000521053
LUSRHGFXSAENBI-OCGFHLEDSA-L 		Cardiolipin (18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1'-[1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))

hmdb:HMDB57396 		secondary/obsolete/fantasy identifier