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

PropertiesImage
MNX_IDMNXM121167 Image of MNXM121167
referencehmdb:HMDB0056886
formulaC87H146O17P2
global charge0
mol weight1526.056
InChIKeyBTDFJENJELMKET-RJQSCJIBSA-N
InChIInChI=1S/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,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)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=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/C87H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26,33-34,36-37,40-43,49-50,53-54,61-62,65-66,81-83,88H,5-8,11-12,15-20,23-24,27-32,35,38-39,44-48,51-52,55-60,63-64,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,53-49-,54-50-,65-61-,66-62-/t81-,82+,83+/m0/s1 Image of MNXM121167
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:38]/[CH:40]=[CH:42]\[CH2:45]/[CH:49]=[CH:53]\[CH2:57]/[CH:61]=[CH:65]\[CH2:69][CH2:73][C:86](=[O:91])[O:103][C@H:82]([CH2:77][O:97][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89])[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]([CH2:78][O:98][C:85]([CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:90])[O:104][C:87]([CH2:74][CH2:70]/[CH:66]=[CH:62]\[CH2:58]/[CH:54]=[CH:50]\[CH2:46]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O:92])[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:HMDB0056886
BTDFJENJELMKET-RJQSCJIBSA-N 		CL(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-3-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1,2-dioctadecanoyl-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phospho],3'-[1,2-distearoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)],3'-[18:0/18:0])
CL(16:0/22:6/18:0/18:0)
CL(74:6)
Cardiolipin(16:0/22:6/18:0/18:0)
Cardiolipin(74:6)
[(2S)-3-({[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid

SLM:000509636
slm:000509636
BTDFJENJELMKET-KALMLCPXSA-L 		Cardiolipin (16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1'-[1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB56886 		secondary/obsolete/fantasy identifier