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CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM122270 Image of MNXM122270
referencehmdb:HMDB0057994
formulaC85H148O17P2
global charge0
mol weight1504.05
InChIKeyCSSMGJJGSCHUNL-VUHLRUMDSA-N
InChIInChI=1S/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,23,25-28,30,32-33,35,37,39-40,42,48,52,79-81,86H,5-8,10-12,14-20,22,24,29,31,34,36,38,41,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,27-23-,30-26-,32-28-,37-33-,40-39-,42-35-,52-48-/t79-,80+,81+/m0/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\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C85H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-48-52-56-60-64-68-72-85(90)102-81(76-96-83(88)70-66-62-58-54-50-46-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21,23,25-28,30,32-33,35,37,39-40,42,48,52,79-81,86H,5-8,10-12,14-20,22,24,29,31,34,36,38,41,43-47,49-51,53-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,27-23-,30-26-,32-28-,37-33-,40-39-,42-35-,52-48-/t79-,80+,81+/m0/s1 Image of MNXM122270
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:48]=[CH:52]\[CH2:56][CH2:60][CH2:64][CH2:68][CH2:72][C:85](=[O:90])[O:102][C@H:81]([CH2:76][O:96][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46]/[CH:42]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:88])[CH2:78][O:100][P:104]([OH:93])(=[O:94])[O:98][CH2:74][C@H: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][CH2:43][CH2:36]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89])[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:HMDB0057994
CSSMGJJGSCHUNL-VUHLRUMDSA-N 		CL(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(2S)-3-{[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid
1'-[1,2-Di(11Z-octadecenoyl)-rac-glycero-3-phospho],3'-[1,2-di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Divaccenoyl-rac-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/18:1(11Z)],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
CL(18:1/18:1/18:2/18:2)
CL(72:6)
Cardiolipin(18:1/18:1/18:2/18:2)
Cardiolipin(72:6)
[(2S)-3-({[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinate
[(2S)-3-({[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid

SLM:000547345
slm:000547345
CSSMGJJGSCHUNL-XMSSYGGQSA-L 		Cardiolipin (18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1'-[1,2-di-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z,12Z-octadecadienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB57994 		secondary/obsolete/fantasy identifier