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Cardiolipin (18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))

PropertiesImage
MNX_IDMNXM122361 Image of MNXM122361
referenceslm:000546560
formulaC85H148O17P2
global charge-2
mol weight1504.05
InChIKeyLMCBCPAKPNECJQ-QZLSQPCGSA-L
InChIInChI=1S/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-37,39-40,42-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,38,41,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/p-2/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,43-36-,50-46-/t79?,80-,81-/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-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C85H150O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,30,33,35-37,39-40,42-43,46,50,79-81,86H,5-8,10-12,14-20,22-24,27-29,31-32,34,38,41,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,30-26-,37-33-,40-39-,42-35-,43-36-,50-46-/t79?,80-,81-/m1/s1 Image of MNXM122361
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:37]\[CH2:38]/[CH:39]=[CH:40]\[CH2:44]/[CH:46]=[CH:50]\[CH2:54][CH2:58][CH2:62][CH2:66][CH2:70][C:83](=[O:88])[O:96][CH2:76][C@H:81]([CH2:78][O:100][P:104]([OH:93])(=[O:94])[O:98][CH2:74][CH:79]([CH2:73][O:97][P:103]([OH:91])(=[O:92])[O:99][CH2:77][C@@H:80]([CH2:75][O:95][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:87])[O:101][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47]/[CH:42]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:89])[OH:86])[O:102][C:85]([CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48]/[CH:43]=[CH:36]\[CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:90]
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

SLM:000546560
slm:000546560
LMCBCPAKPNECJQ-QZLSQPCGSA-L 		Cardiolipin (18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
1'-[1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
hmdb:HMDB0058086
LMCBCPAKPNECJQ-QZLSQPCGSA-N 		CL(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid
1'-[1-(11Z-Octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Vaccenoyl-2-oleoyl-sn-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/18:1(9Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(18:1/18:1/22:5/22:5)
CL(80:12)
Cardiolipin(18:1/18:1/22:5/22:5)
Cardiolipin(80:12)
[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid

hmdb:HMDB58086 		secondary/obsolete/fantasy identifier