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

PropertiesImage
MNX_IDMNXM121761 Image of MNXM121761
referencehmdb:HMDB0057002
formulaC81H152O17P2
global charge0
mol weight1460.038
InChIKeyPTVDWMVVUGDKPX-IWPJLPSGSA-N
InChIInChI=1S/C81H152O17P2/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/h21,25,27,31,33,37,75-77,82H,5-20,22-24,26,28-30,32,34-36,38-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,37-33-/t75-,76-,77-/m1/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)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C81H152O17P2/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/h21,25,27,31,33,37,75-77,82H,5-20,22-24,26,28-30,32,34-36,38-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,31-27-,37-33-/t75-,76-,77-/m1/s1 Image of MNXM121761
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH: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][CH2:38][CH2:34][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][CH2:32][CH2:28][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][CH2:39][CH2:35]/[CH:31]=[CH:27]\[CH2:23][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:HMDB0057002
PTVDWMVVUGDKPX-IWPJLPSGSA-N 		CL(18:0/18:0/18:2(9Z,12Z)/18:1(11Z))
(2S)-3-{[(2R)-2,3-bis(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
1'-[1,2-Dioctadecanoyl-rac-glycero-3-phospho],3'-[1,2-di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Distearoyl-rac-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:0/18:0],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
CL(18:0/18:0/18:2/18:2)
CL(72:4)
Cardiolipin(18:0/18:0/18:2/18:2)
Cardiolipin(72:4)
[(2S)-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinate
[(2S)-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid

SLM:000521619
slm:000521619
PTVDWMVVUGDKPX-SDLMDDGRSA-L 		Cardiolipin (18:0/18:0/18:2(9Z,12Z)/18:1(11Z))
1'-[1,2-di-octadecanoyl-sn-glycero-3-phospho],3'-[1-(9Z,12Z-octadecadienoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:0/18:0/18:2(9Z,12Z)/18:1(11Z))

hmdb:HMDB57002 		secondary/obsolete/fantasy identifier