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CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM121062 Image of MNXM121062
referencehmdb:HMDB0056788
formulaC85H144O17P2
global charge0
mol weight1500.018
InChIKeyTXHAZOCNJYWXFE-HNSVLALTSA-N
InChIInChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-36,39-42,47-48,51-52,60,64,79-81,86H,5-8,10-12,14-20,23-24,28-30,32,37-38,43-46,49-50,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,64-60-/t79-,80-,81-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C85H144O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-27,31,33-36,39-42,47-48,51-52,60,64,79-81,86H,5-8,10-12,14-20,23-24,28-30,32,37-38,43-46,49-50,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,31-27-,35-33-,36-34-,41-39-,42-40-,51-47-,52-48-,64-60-/t79-,80-,81-/m1/s1 Image of MNXM121062
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:37]/[CH:39]=[CH:41]\[CH2:43]/[CH:47]=[CH:51]\[CH2:55][CH2:59][CH2:63][CH2:67][CH2:71][C:84](=[O:89])[O:101][C@H:80]([CH2:75][O:95][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:87])[CH2:77][O:99][P:103]([OH:91])(=[O:92])[O:97][CH2:73][C@H:79]([CH2:74][O:98][P:104]([OH:93])(=[O:94])[O:100][CH2:78][C@@H:81]([CH2:76][O:96][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:88])[O:102][C:85]([CH2:72][CH2:68]/[CH:64]=[CH:60]\[CH2:56]/[CH:52]=[CH:48]\[CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:90])[OH: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:HMDB0056788
TXHAZOCNJYWXFE-HNSVLALTSA-N 		CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy((2R)-3-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]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)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000510575
slm:000510575
TXHAZOCNJYWXFE-KSXCIWQFSA-L 		Cardiolipin (16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1'-[1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-hexadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB56788 		secondary/obsolete/fantasy identifier