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CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))

PropertiesImage
MNX_IDMNXM123239 Image of MNXM123239
referencehmdb:HMDB0058965
formulaC83H144O17P2
global charge0
mol weight1475.996
InChIKeyDBFUWJMGTQWLRL-UGBJWUHFSA-N
InChIInChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,41-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,28-30,32,35,38-40,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,44-41-,45-42-,55-51-,56-52-/t77-,78+,79+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-27,31,33-34,36-37,41-42,44-45,51-52,55-56,77-79,84H,5-20,23-24,28-30,32,35,38-40,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,31-27-,36-33-,37-34-,44-41-,45-42-,55-51-,56-52-/t77-,78+,79+/m0/s1 Image of MNXM123239
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47]/[CH:51]=[CH:55]\[CH2:59][CH2:63][CH2:67][C:80](=[O:85])[O:93][CH2:73][C@H:78]([CH2:75][O:97][P:101]([OH:89])(=[O:90])[O:95][CH2:71][C@@H:77]([CH2:72][O:96][P:102]([OH:91])(=[O:92])[O:98][CH2:76][C@@H:79]([CH2:74][O:94][C:81]([CH2:68][CH2:64][CH2:60]/[CH:56]=[CH:52]\[CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:86])[O:100][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:40][CH2:35]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:88])[OH:84])[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]
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:HMDB0058965
DBFUWJMGTQWLRL-UGBJWUHFSA-N 		CL(20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
(2S)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid
1'-[1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Arachidonoyl-2-palmitoyl-sn-glycero-3-phospho],3'-[1,2-diarachidonoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[20:4(5Z,8Z,11Z,14Z)/16:0],3'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)])
CL(20:4/16:0/20:4/20:4)
CL(76:12)
Cardiolipin(20:4/16:0/20:4/20:4)
Cardiolipin(76:12)
[(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid

SLM:000587545
slm:000587545
DBFUWJMGTQWLRL-DVJWGAIISA-L 		Cardiolipin (20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (20:4(5Z,8Z,11Z,14Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))

hmdb:HMDB58965 		secondary/obsolete/fantasy identifier