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CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:0)

PropertiesImage
MNX_IDMNXM121059 Image of MNXM121059
referencehmdb:HMDB0056785
formulaC79H142O17P2
global charge0
mol weight1425.936
InChIKeyBGDJJSAZRQUOFK-OKZQKOEFSA-N
InChIInChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,27-29,31-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,34-33-,37-36-,46-42-,58-54-/t73-,74-,75-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C79H142O17P2/c1-5-9-13-17-21-25-29-33-34-35-36-37-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-41-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-30-26-22-18-14-10-6-2/h21,25-26,30,33-34,36-37,42,46,54,58,73-75,80H,5-20,22-24,27-29,31-32,35,38-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,34-33-,37-36-,46-42-,58-54-/t73-,74-,75-/m1/s1 Image of MNXM121059
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38]/[CH:42]=[CH:46]\[CH2:50]/[CH:54]=[CH:58]\[CH2:62][CH2:66][C:79](=[O:84])[O:96][C@H:75]([CH2:70][O:90][C:77]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:82])[CH2:72][O:94][P:98]([OH:87])(=[O:88])[O:92][CH2:68][C@@H:73]([CH2:67][O:91][P:97]([OH:85])(=[O:86])[O:93][CH2:71][C@@H:74]([CH2:69][O:89][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:81])[O:95][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:83])[OH:80]
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:HMDB0056785
BGDJJSAZRQUOFK-OKZQKOEFSA-N 		CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:0)
(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy((2R)-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-hexadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-osbondoyl-sn-glycero-3-phospho],3'-[1,2-dipalmitoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/22:5(4Z,7Z,10Z,13Z,16Z)],3'-[16:1(9Z)/16:1(9Z)])
CL(16:0/22:5/16:1/16:1)
CL(70:7)
Cardiolipin(16:0/22:5/16:1/16:1)
Cardiolipin(70:7)
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy][(2R)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000510564
slm:000510564
BGDJJSAZRQUOFK-NJYVIUGBSA-L 		Cardiolipin (16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:0)
1'-[1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-hexadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol
CL (16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/16:0)

hmdb:HMDB56785 		secondary/obsolete/fantasy identifier