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CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))

PropertiesImage
MNX_IDMNXM122691 Image of MNXM122691
referencehmdb:HMDB0058416
formulaC81H148O17P2
global charge0
mol weight1456.006
InChIKeyQVAFILPEQCNYHA-GNHRJUMJSA-N
InChIInChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h23,27-28,32-35,37-39,75-77,82H,5-22,24-26,29-31,36,40-74H2,1-4H3,(H,87,88)(H,89,90)/b27-23-,32-28-,37-33-,38-34-,39-35-/t75-,76-,77-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C81H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h23,27-28,32-35,37-39,75-77,82H,5-22,24-26,29-31,36,40-74H2,1-4H3,(H,87,88)(H,89,90)/b27-23-,32-28-,37-33-,38-34-,39-35-/t75-,76-,77-/m1/s1 Image of MNXM122691
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29]/[CH:33]=[CH:37]\[CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][CH2:65][C:78](=[O:83])[O:91][CH2:71][C@H:76]([CH2:73][O:95][P:99]([OH:87])(=[O:88])[O:93][CH2:69][C@H:75]([CH2:70][O:94][P:100]([OH:89])(=[O:90])[O:96][CH2:74][C@@H:77]([CH2:72][O:92][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42]/[CH:38]=[CH:34]\[CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:84])[O:98][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:86])[OH:82])[O:97][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:85]
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:HMDB0058416
QVAFILPEQCNYHA-GNHRJUMJSA-N 		CL(18:1(9Z)/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))
(2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
1'-[1-(9Z-Octadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Oleoyl-2-vaccenoyl-sn-glycero-3-phospho],3'-[1,2-dioleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(9Z)/18:1(11Z)],3'-[18:1(9Z)/18:1(9Z)])
CL(18:1/18:1/18:1/18:1)
CL(72:4)
Cardiolipin(18:1/18:1/18:1/18:1)
Cardiolipin(72:4)
[(2S)-2-Hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinate
[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid

SLM:000550132
slm:000550132
QVAFILPEQCNYHA-KBBADJBASA-L 		Cardiolipin (18:1(9Z)/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))
1'-[1-(9Z-octadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(9Z)/18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))

hmdb:HMDB58416 		secondary/obsolete/fantasy identifier