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CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0)

PropertiesImage
MNX_IDMNXM47135 Image of MNXM47135
referencehmdb:HMDB0010286
formulaC83H142O17P2
global charge0
mol weight1473.98
InChIKeyQDIBLYQGCUWRSO-DVOUCKMFSA-N
InChIInChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-37,40-42,45-46,77-79,84H,5-8,11-12,15-20,24,28-32,38-39,43-44,47-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,40-35-,45-41-,46-42-/t77-,78-,79-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-23,25-27,33-37,40-42,45-46,77-79,84H,5-8,11-12,15-20,24,28-32,38-39,43-44,47-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,40-35-,45-41-,46-42-/t77-,78-,79-/m1/s1 Image of MNXM47135
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:38]/[CH:41]=[CH:45]\[CH2:48][CH2:52][CH2:56][CH2:60][CH2:64][CH2:68][C:81](=[O:86])[O:94][CH2:74][C@H:79]([CH2:76][O:98][P:102]([OH:91])(=[O:92])[O:96][CH2:72][C@@H:77]([CH2:71][O:95][P:101]([OH:89])(=[O:90])[O:97][CH2:75][C@@H:78]([CH2:73][O:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:44]/[CH:40]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:85])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:43][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:87])[OH:84])[O:100][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50]/[CH:46]=[CH:42]\[CH2:39]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O:88]
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:HMDB0010286
QDIBLYQGCUWRSO-DVOUCKMFSA-N 		CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0)
(2R)-2,3-bis[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy(3-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1,2-Di(8Z,11Z,14Z,17Z-eicosapentaenoyl)-rac-glycero-3-phospho],3'-[1,2-di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Dieicsoate
1'-[1,2-Dieicsoatetraenoyl-rac-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
1'-[1,2-Dieicsoic acid
CL(1'-[20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
CL(20:4/20:4/18:2/18:2)
CL(20:4N3/20:4N3/18:2N6/18:2N6)
CL(20:4W3/20:4W3/18:2W6/18:2W6)
CL(76:12)
Cardiolipin(20:4/20:4/18:2/18:2)
Cardiolipin(20:4N3/20:4N3/18:2N6/18:2N6)
Cardiolipin(20:4W3/20:4W3/18:2W6/18:2W6)
Cardiolipin(76:12)
Cardiolipins(20:4/20:4/18:2/18:2)
Cardiolipins(20:4N3/20:4N3/18:2N6/18:2N6)
Cardiolipins(20:4W3/20:4W3/18:2W6/18:2W6)
Cardiolipins(76:12)
[(2R)-2,3-bis[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy][3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

hmdb:HMDB10286 		secondary/obsolete/fantasy identifier