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CL(18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)

PropertiesImage
MNX_IDMNXM122162 Image of MNXM122162
referencehmdb:HMDB0057886
formulaC81H144O17P2
global charge0
mol weight1451.974
InChIKeyZYPUHFXPOLJRNR-GGLFXGSGSA-N
InChIInChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-44-,58-54-/t75-,76+,77+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C81H144O17P2/c1-5-9-13-17-21-25-29-33-35-36-37-38-40-44-46-50-54-58-62-66-79(84)92-72-77(98-81(86)68-64-60-56-52-48-42-32-28-24-20-16-12-8-4)74-96-100(89,90)94-70-75(82)69-93-99(87,88)95-73-76(97-80(85)67-63-59-55-51-47-41-31-27-23-19-15-11-7-3)71-91-78(83)65-61-57-53-49-45-43-39-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35,37-38,44,46,54,58,75-77,82H,5-8,10-12,14-20,22-24,27-29,31-32,34,36,39-43,45,47-53,55-57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b13-9-,25-21-,30-26-,35-33-,38-37-,46-44-,58-54-/t75-,76+,77+/m0/s1 Image of MNXM122162
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:44]=[CH:46]\[CH2:50]/[CH:54]=[CH:58]\[CH2:62][CH2:66][C:79](=[O:84])[O:92][CH2:72][C@H:77]([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][CH2:43][CH2:39][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:83])[O:97][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:41][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:85])[OH:82])[O:98][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:42][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:86]
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:HMDB0057886
ZYPUHFXPOLJRNR-GGLFXGSGSA-N 		CL(18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)
(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(hexadecanoyloxy)propoxy((2S)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(11Z-Octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Vaccenoyl-2-palmitoyl-sn-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/16:0],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(18:1/16:0/22:6/22:6)
CL(78:13)
Cardiolipin(18:1/16:0/22:6/22:6)
Cardiolipin(78:13)
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(hexadecanoyloxy)propoxy][(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000546834
slm:000546834
ZYPUHFXPOLJRNR-JFAOIXTDSA-L 		Cardiolipin (18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)
1'-[1-(11Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol
CL (18:1(11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)

hmdb:HMDB57886 		secondary/obsolete/fantasy identifier