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

PropertiesImage
MNX_IDMNXM122278 Image of MNXM122278
referencehmdb:HMDB0058003
formulaC87H148O17P2
global charge0
mol weight1528.072
InChIKeyHAANGPURCHENQL-LCHSLDDBSA-N
InChIInChI=1S/C87H148O17P2/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)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81-,82+,83+/m0/s1
SMILESCCCCC/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)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C87H148O17P2/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)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h21-22,25-28,31-34,37-38,40,42,45,48,50,54,56,60,62,66,81-83,88H,5-20,23-24,29-30,35-36,39,41,43-44,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,42-40-,48-45-,54-50-,60-56-,66-62-/t81-,82+,83+/m0/s1 Image of MNXM122278
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][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]/[CH:60]=[CH:56]\[CH2:52]/[CH:48]=[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: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][CH2:43][CH2:35]/[CH:31]=[CH: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][CH2:61][CH2:57][CH2:53][CH2:49][CH2:44][CH2:36]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[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:HMDB0058003
HAANGPURCHENQL-LCHSLDDBSA-N 		CL(18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
(2S)-3-{[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy)phosphinic acid
1'-[1,2-Di(11Z-octadecenoyl)-rac-glycero-3-phospho],3'-[1,2-di(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Divaccenoyl-rac-glycero-3-phospho],3'-[1,2-diarachidonoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/18:1(11Z)],3'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)])
CL(18:1/18:1/20:4/20:4)
CL(76:10)
Cardiolipin(18:1/18:1/20:4/20:4)
Cardiolipin(76:10)
[(2S)-3-({[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid

SLM:000548953
slm:000548953
HAANGPURCHENQL-KRQAKHOMSA-L 		Cardiolipin (18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1'-[1,2-di-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))

hmdb:HMDB58003 		secondary/obsolete/fantasy identifier