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CL(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))

PropertiesImage
MNX_IDMNXM47111 Image of MNXM47111
referencehmdb:HMDB0010266
formulaC83H144O17P2
global charge0
mol weight1475.996
InChIKeyVFLUBNWAFVUCBP-LPUPPDTPSA-N
InChIInChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-28,33-37,39-42,44,77-79,84H,5-20,29-32,38,43,45-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,28-24-,37-33-,39-34-,40-35-,41-36-,44-42-/t77-,78-,79-/m1/s1
SMILESCCCCC/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)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C83H144O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-28,33-37,39-42,44,77-79,84H,5-20,29-32,38,43,45-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,28-24-,37-33-,39-34-,40-35-,41-36-,44-42-/t77-,78-,79-/m1/s1 Image of MNXM47111
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:38]/[CH:42]=[CH:44]\[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][CH2:43]/[CH:39]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:85])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45]/[CH:40]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:87])[OH:84])[O:100][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46]/[CH:41]=[CH:36]\[CH2:32]/[CH:28]=[CH:24]\[CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[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:HMDB0010266
VFLUBNWAFVUCBP-LPUPPDTPSA-N 		CL(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
1'-[1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Homo-g-linolenoyl-2-linoleoyl-sn-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
1'-[1-Homo-gamma-linolenoyl-2-linoleoyl-sn-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid
CL(1'-[20:3(8Z,11Z,14Z)/18:2(9Z,12Z)],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
CL(20:3/18:2/18:2/18:2)
CL(20:3N6/18:2N6/18:2N6/18:2N6)
CL(20:3W6/18:2W6/18:2W6/18:2W6)
CL(74:9)
Cardiolipin(20:3/18:2/18:2/18:2)
Cardiolipin(20:3N6/18:2N6/18:2N6/18:2N6)
Cardiolipin(20:3W6/18:2W6/18:2W6/18:2W6)
Cardiolipin(74:9)
Cardiolipins(20:3/18:2/18:2/18:2)
Cardiolipins(20:3N6/18:2N6/18:2N6/18:2N6)
Cardiolipins(20:3W6/18:2W6/18:2W6/18:2W6)
Cardiolipins(74:9)
[3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid

SLM:000580783
slm:000580783
VFLUBNWAFVUCBP-CYMZRVPUSA-L 		Cardiolipin (18:2(9Z,12Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1-(8Z,11Z,14Z-eicosatrienoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol
CL (18:2(9Z,12Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z))

hmdb:HMDB10266 		secondary/obsolete/fantasy identifier