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

PropertiesImage
MNX_IDMNXM121374 Image of MNXM121374
referencehmdb:HMDB0057583
formulaC77H140O17P2
global charge0
mol weight1399.898
InChIKeyQDFSHJOKCFYEHN-BZMHCFDZSA-N
InChIInChI=1S/C77H140O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,71-73,78H,5-20,22-24,29,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,31-27-,32-28-,35-33-/t71-,72-,73-/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)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C77H140O17P2/c1-5-9-13-17-21-25-29-33-35-39-42-46-50-54-58-62-75(80)88-68-72(93-76(81)63-59-55-51-47-43-38-32-28-24-20-16-12-8-4)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h21,25-28,30-33,35,71-73,78H,5-20,22-24,29,34,36-70H2,1-4H3,(H,83,84)(H,85,86)/b25-21-,30-26-,31-27-,32-28-,35-33-/t71-,72-,73-/m1/s1 Image of MNXM121374
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:39][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH2:62][C:75](=[O:80])[O:88][CH2:68][C@H:72]([CH2:69][O:91][P:95]([OH:83])(=[O:84])[O:89][CH2:65][C@H:71]([CH2:66][O:90][P:96]([OH:85])(=[O:86])[O:92][CH2:70][C@@H:73]([CH2:67][O:87][C:74]([CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:79])[O:94][C:77]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:82])[OH:78])[O:93][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:38]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:81]
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:HMDB0057583
QDFSHJOKCFYEHN-BZMHCFDZSA-N 		CL(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/16:1(9Z))
(2S)-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
1'-[1-(9Z-Hexadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoleoyl-2-vaccenoyl-sn-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/18:1(11Z)],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
CL(16:1/18:1/18:2/18:2)
CL(70:6)
Cardiolipin(16:1/18:1/18:2/18:2)
Cardiolipin(70:6)
[(2R)-2-(Hexadec-9-enoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][(2S)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinate
[(2S)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid

SLM:000535317
slm:000535317
QDFSHJOKCFYEHN-HITNLROQSA-L 		Cardiolipin (16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/16:1(9Z))
1'-[1-(9Z-hexadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z,12Z-octadecadienoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)/16:1(9Z))

hmdb:HMDB57583 		secondary/obsolete/fantasy identifier