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

PropertiesImage
MNX_IDMNXM1106672 Image of MNXM1106672
referencehmdb:HMDB0112019
formulaC83H140O17P2
global charge0
mol weight1471.964
InChIKeyRNBVJZJZNPZGMY-YCISAHMQSA-N
InChIInChI=1S/C83H140O17P2/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/h21-23,25-28,32-37,40-42,44-45,51-52,55-56,77-79,84H,5-20,24,29-31,38-39,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,40-35-,44-41-,45-42-,55-51-,56-52-/t77-,78-,79-/m1/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)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C83H140O17P2/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/h21-23,25-28,32-37,40-42,44-45,51-52,55-56,77-79,84H,5-20,24,29-31,38-39,43,46-50,53-54,57-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,40-35-,44-41-,45-42-,55-51-,56-52-/t77-,78-,79-/m1/s1 Image of MNXM1106672
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]/[CH:40]=[CH:35]\[CH2:31]/[CH:27]=[CH: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]/[CH:32]=[CH: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:HMDB0112019
RNBVJZJZNPZGMY-YCISAHMQSA-N 		CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
(2R)-3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-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-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
1'-[1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl),2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl),2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL(1'-[20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)],3'-[20:4(5Z,8Z,11Z,14Z)/16:1(9Z)])
CL(20:4/18:2/20:4/16:1)
CL(74:11)
Cardiolipin
Cardiolipin(1'-[20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)],3'-[20:4(5Z,8Z,11Z,14Z)/16:1(9Z)])
Cardiolipin(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
Cardiolipin(20:4/18:2/20:4/16:1)
Cardiolipin(74:11)
[(2R)-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-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-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid