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CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/18:1(11Z))

PropertiesImage
MNX_IDMNXM122971 Image of MNXM122971
referencehmdb:HMDB0058697
formulaC79H144O17P2
global charge0
mol weight1427.952
InChIKeyVDUHNPKHXOIADT-JXXAGJOBSA-N
InChIInChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,73-75,80H,5-20,23-24,28-30,32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,26-22-,31-27-,36-33-,37-34-/t73-,74+,75+/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,73-75,80H,5-20,23-24,28-30,32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,26-22-,31-27-,36-33-,37-34-/t73-,74+,75+/m0/s1 Image of MNXM122971
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:40][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][CH2:63][C:76](=[O:81])[O:89][CH2:69][C@H:74]([CH2:71][O:93][P:97]([OH:85])(=[O:86])[O:91][CH2:67][C@@H:73]([CH2:68][O:92][P:98]([OH:87])(=[O:88])[O:94][CH2:72][C@@H:75]([CH2:70][O:90][C:77]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:41]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:82])[O:96][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:35]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:84])[OH:80])[O:95][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:39][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:83]
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:HMDB0058697
VDUHNPKHXOIADT-JXXAGJOBSA-N 		CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/18:1(11Z))
(2S)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
1'-[1-(9Z,12Z-Octadecadienoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Linoleoyl-2-palmitoyl-sn-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:2(9Z,12Z)/16:0],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
CL(18:2/16:0/18:2/18:2)
CL(70:6)
Cardiolipin(18:2/16:0/18:2/18:2)
Cardiolipin(70:6)
[(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinate
[(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid

SLM:000579508
slm:000579508
VDUHNPKHXOIADT-XRUUGGLSSA-L 		Cardiolipin (18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/18:1(11Z))
1'-[1-(9Z,12Z-octadecadienoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(9Z,12Z-octadecadienoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/18:1(11Z))

hmdb:HMDB58697 		secondary/obsolete/fantasy identifier