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CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:2(9Z,11Z)/18:2(9Z,12Z))

PropertiesImage
MNX_IDMNXM1112317 Image of MNXM1112317
referencehmdb:HMDB0111909
formulaC81H140O17P2
global charge0
mol weight1447.942
InChIKeyMEVHTEWCPOROSS-UOPSRPIVSA-N
InChIInChI=1S/C81H140O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,23,25-28,30,32-36,38-40,43,50,54,75-77,82H,5-20,22,24,29,31,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,30-26-,32-28-,36-33-,38-34-,39-35-,43-40-,54-50-/t75-,76+,77+/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)CCCCCCC/C=C\C=C/CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C81H140O17P2/c1-5-9-13-17-21-25-29-33-36-37-40-43-46-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-47-41-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-39-35-31-27-23-19-15-11-7-3)72-91-78(83)65-61-57-53-49-45-42-38-34-30-26-22-18-14-10-6-2/h21,23,25-28,30,32-36,38-40,43,50,54,75-77,82H,5-20,22,24,29,31,37,41-42,44-49,51-53,55-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,27-23-,30-26-,32-28-,36-33-,38-34-,39-35-,43-40-,54-50-/t75-,76+,77+/m0/s1 Image of MNXM1112317
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46]/[CH:50]=[CH:54]\[CH2:58][CH2:62][CH2:66][C:79](=[O:84])[O:92][CH2:71][C@H:76]([CH2:73][O:95][P:99]([OH:87])(=[O:88])[O:93][CH2:69][C@@H:75]([CH2:70][O:94][P:100]([OH:89])(=[O:90])[O:96][CH2:74][C@@H:77]([CH2:72][O:91][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:42]/[CH:38]=[CH:34]\[CH:30]=[CH:26]/[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:83])[O:98][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44]/[CH:39]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:86])[OH:82])[O:97][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:41]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:85]
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:HMDB0111909
MEVHTEWCPOROSS-UOPSRPIVSA-N 		CL(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:2(9Z,11Z)/18:2(9Z,12Z))
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy((2R)-2-hydroxy-3-{[hydroxy((2R)-3-[(9Z,11Z)-octadeca-9,11-dienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid
1'-[1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl),2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z,11Z-octadecadienoyl),2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
CL(1'-[20:4(5Z,8Z,11Z,14Z)/16:1(9Z)],3'-[18:2(9Z,11Z)/18:2(9Z,12Z)])
CL(20:4/16:1/18:2/18:2)
CL(72:9)
Cardiolipin
Cardiolipin(1'-[20:4(5Z,8Z,11Z,14Z)/16:1(9Z)],3'-[18:2(9Z,11Z)/18:2(9Z,12Z)])
Cardiolipin(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/18:2(9Z,11Z)/18:2(9Z,12Z))
Cardiolipin(20:4/16:1/18:2/18:2)
Cardiolipin(72:9)
[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][(2R)-2-hydroxy-3-({hydroxy[(2R)-3-[(9Z,11Z)-octadeca-9,11-dienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid