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

PropertiesImage
MNX_IDMNXM122252 Image of MNXM122252
referencehmdb:HMDB0057976
formulaC79H148O17P2
global charge0
mol weight1431.984
InChIKeyNDTRJAKNKQAIPW-AZRYLTSLSA-N
InChIInChI=1S/C79H148O17P2/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/h26-27,30-31,33,36,73-75,80H,5-25,28-29,32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,36-33-/t73-,74-,75-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C79H148O17P2/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/h26-27,30-31,33,36,73-75,80H,5-25,28-29,32,34-35,37-72H2,1-4H3,(H,85,86)(H,87,88)/b30-26-,31-27-,36-33-/t73-,74-,75-/m1/s1 Image of MNXM122252
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][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][CH2:37][CH2:34]/[CH:30]=[CH:26]\[CH2:22][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:HMDB0057976
NDTRJAKNKQAIPW-AZRYLTSLSA-N 		CL(18:1(11Z)/18:1(11Z)/18:1(9Z)/16:0)
(2S)-3-{[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy)phosphinic acid
1'-[1,2-Di(11Z-octadecenoyl)-rac-glycero-3-phospho],3'-[1,2-di(9Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Divaccenoyl-rac-glycero-3-phospho],3'-[1,2-dioleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/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)-3-({[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphinic acid

SLM:000544534
slm:000544534
NDTRJAKNKQAIPW-ZFQACKMXSA-L 		Cardiolipin (18:1(9Z)/16:0/18:1(11Z)/18:1(11Z))
1'-[1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1,2-di-(11Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(9Z)/16:0/18:1(11Z)/18:1(11Z))

hmdb:HMDB57976 		secondary/obsolete/fantasy identifier