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CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))

PropertiesImage
MNX_IDMNXM121250 Image of MNXM121250
referencehmdb:HMDB0057493
formulaC81H142O17P2
global charge0
mol weight1449.958
InChIKeyHJHBEOSOKCLFES-DRBSVQNTSA-N
InChIInChI=1S/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,29,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75-,76+,77+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C81H142O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-48-52-56-60-64-68-81(86)98-77(72-92-79(84)66-62-58-54-50-46-43-39-34-30-26-22-18-14-10-6-2)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-42-32-28-24-20-16-12-8-4)71-91-78(83)65-61-57-53-49-45-41-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,37-38,44,48,56,60,75-77,82H,5-20,22-24,29,34,36,39-43,45-47,49-55,57-59,61-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,30-26-,31-27-,32-28-,35-33-,38-37-,48-44-,60-56-/t75-,76+,77+/m0/s1 Image of MNXM121250
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:36]/[CH:37]=[CH:38]\[CH2:40]/[CH:44]=[CH:48]\[CH2:52]/[CH:56]=[CH:60]\[CH2:64][CH2:68][C:81](=[O:86])[O:98][C@H:77]([CH2:72][O:92][C:79]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:43][CH2:39][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:84])[CH2:74][O:96][P:100]([OH:89])(=[O:90])[O:94][CH2:70][C@H:75]([CH2:69][O:93][P:99]([OH:87])(=[O:88])[O:95][CH2:73][C@@H:76]([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: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])[OH:82]
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:HMDB0057493
HJHBEOSOKCLFES-DRBSVQNTSA-N 		CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
(2S)-3-{[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid
1'-[1,2-Di(9Z-hexadecenoyl)-rac-glycero-3-phospho],3'-[1,2-di(11Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Dipalmitoleoyl-rac-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/16:1(9Z)],3'-[18:1(11Z)/18:1(11Z)])
CL(16:1/16:1/18:1/18:1)
CL(68:4)
Cardiolipin(16:1/16:1/18:1/18:1)
Cardiolipin(68:4)
[(2S)-3-({[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid

SLM:000532093
slm:000532093
HJHBEOSOKCLFES-KWUYZLHPSA-L 		Cardiolipin (16:1(9Z)/16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1'-[1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(11Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:1(9Z)/16:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))

hmdb:HMDB57493 		secondary/obsolete/fantasy identifier