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CL(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

PropertiesImage
MNX_IDMNXM121387 Image of MNXM121387
referencehmdb:HMDB0057596
formulaC81H142O17P2
global charge0
mol weight1449.958
InChIKeyAINVWCXEAIKVCT-WIURWPEHSA-N
InChIInChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-/t75-,76-,77-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-43-46-50-54-58-62-66-79(84)92-72-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-28,30-33,35,37-38,43,46,75-77,82H,5-8,10-12,14-20,22-24,29,34,36,39-42,44-45,47-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,46-43-/t75-,76-,77-/m1/s1 Image of MNXM121387
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:36]/[CH:37]=[CH:38]\[CH2:40]/[CH:43]=[CH:46]\[CH2:50][CH2:54][CH2:58][CH2:62][CH2:66][C:79](=[O:84])[O:92][CH2:72][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]([CH2:71][O:91][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:83])[O:98][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:39][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:86])[OH:82])[O:97][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:42]/[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:HMDB0057596
AINVWCXEAIKVCT-WIURWPEHSA-N 		CL(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy((2S)-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(9Z-Hexadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoleoyl-2-vaccenoyl-sn-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/18:1(11Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(16:1/18:1/22:5/22:5)
CL(78:12)
Cardiolipin(16:1/18:1/22:5/22:5)
Cardiolipin(78:12)
[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy][(2S)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000534517
slm:000534517
AINVWCXEAIKVCT-DCDZQLRHSA-L 		Cardiolipin (16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
1'-[1-(9Z-hexadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

hmdb:HMDB57596 		secondary/obsolete/fantasy identifier