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

PropertiesImage
MNX_IDMNXM121682 Image of MNXM121682
referencehmdb:HMDB0057062
formulaC77H142O17P2
global charge0
mol weight1401.914
InChIKeyKVMFIPQOZDXVKX-FQMIVSLUSA-N
InChIInChI=1S/C77H142O17P2/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/h22,26-28,31-32,34,36,71-73,78H,5-21,23-25,29-30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b26-22-,31-27-,32-28-,36-34-/t71-,72+,73+/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C77H142O17P2/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/h22,26-28,31-32,34,36,71-73,78H,5-21,23-25,29-30,33,35,37-70H2,1-4H3,(H,83,84)(H,85,86)/b26-22-,31-27-,32-28-,36-34-/t71-,72+,73+/m0/s1 Image of MNXM121682
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:35][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]/[CH:36]=[CH:34]\[CH2:30]/[CH:26]=[CH: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:HMDB0057062
KVMFIPQOZDXVKX-FQMIVSLUSA-N 		CL(18:0/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy((2S)-3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-Octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-hexadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Stearoyl-2-palmitoleoyl-sn-glycero-3-phospho],3'-[1,2-dipalmitoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:0/16:1(9Z)],3'-[16:1(9Z)/16:1(9Z)])
CL(18:0/16:1/16:1/16:1)
CL(66:3)
Cardiolipin(18:0/16:1/16:1/16:1)
Cardiolipin(66:3)
[(2R)-3-(Hexadec-9-enoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][(2S)-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinate
[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][(2S)-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000517667
slm:000517667
KVMFIPQOZDXVKX-YXYWPHKQSA-L 		Cardiolipin (18:0/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))
1'-[1-octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-hexadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol
CL (18:0/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))

hmdb:HMDB57062 		secondary/obsolete/fantasy identifier