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CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)

PropertiesImage
MNX_IDMNXM123594 Image of MNXM123594
referencehmdb:HMDB0059320
formulaC89H146O17P2
global charge0
mol weight1550.078
InChIKeyJXWILYHBRWELSS-MTMDSQLPSA-N
InChIInChI=1S/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,41-42,44-45,48,50-54,60,62,64,66,83-85,90H,5-8,10-12,14-20,24,28-32,39-40,43,46-47,49,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,66-62-/t83-,84-,85-/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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C89H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-44-46-50-53-57-61-65-69-73-86(91)99-79-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-38-35-31-27-23-19-15-11-7-3)80-100-87(92)74-70-66-62-58-54-51-47-45-42-40-37-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-38,41-42,44-45,48,50-54,60,62,64,66,83-85,90H,5-8,10-12,14-20,24,28-32,39-40,43,46-47,49,55-59,61,63,65,67-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,44-41-,45-42-,52-48-,53-50-,54-51-,64-60-,66-62-/t83-,84-,85-/m1/s1 Image of MNXM123594
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:39]/[CH:41]=[CH:44]\[CH2:46]/[CH:50]=[CH:53]\[CH2:57][CH2:61][CH2:65][CH2:69][CH2:73][C:86](=[O:91])[O:99][CH2:79][C@H:84]([CH2:81][O:103][P:107]([OH:95])(=[O:96])[O:101][CH2:77][C@H:83]([CH2:78][O:102][P:108]([OH:97])(=[O:98])[O:104][CH2:82][C@@H:85]([CH2:80][O:100][C:87]([CH2:74][CH2:70]/[CH:66]=[CH:62]\[CH2:58]/[CH:54]=[CH:51]\[CH2:47]/[CH:45]=[CH:42]\[CH2:40]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:92])[O:106][C:89]([CH2:76][CH2:72][CH2:68]/[CH:64]=[CH:60]\[CH2:56]/[CH:52]=[CH:48]\[CH2:43]/[CH:38]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:94])[OH:90])[O:105][C:88]([CH2:75][CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:49][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:93]
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:HMDB0059320
JXWILYHBRWELSS-MTMDSQLPSA-N 		CL(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)
(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy((2R)-3-{[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Osbondoyl-2-arachidonoyl-sn-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(22:5/20:4/22:5/22:5)
CL(86:19)
Cardiolipin(22:5/20:4/22:5/22:5)
Cardiolipin(86:19)
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][(2R)-3-({[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000576110
slm:000576110
JXWILYHBRWELSS-ZNKRHIDTSA-L 		Cardiolipin (22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol
CL (22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)

hmdb:HMDB59320 		secondary/obsolete/fantasy identifier