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CL(18:0/18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM121870 Image of MNXM121870
referencehmdb:HMDB0057150
formulaC85H152O17P2
global charge0
mol weight1508.082
InChIKeyQRUKKEARKNGSKN-GTNRRDNPSA-N
InChIInChI=1S/C85H152O17P2/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/h9,13,21,25,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,52-48-,64-60-/t79-,80+,81+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C85H152O17P2/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/h9,13,21,25,33,36-37,39-40,43,48,52,60,64,79-81,86H,5-8,10-12,14-20,22-24,26-32,34-35,38,41-42,44-47,49-51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,37-33-,40-39-,43-36-,52-48-,64-60-/t79-,80+,81+/m0/s1 Image of MNXM121870
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]/[CH:60]=[CH: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][CH2:42][CH2:35][CH2:31][CH2:27][CH2:23][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][CH2:30][CH2:26][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:43]=[CH:36]\[CH2:32][CH2:28][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:HMDB0057150
QRUKKEARKNGSKN-GTNRRDNPSA-N 		CL(18:0/18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy((2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy)phosphoryl]oxy}propoxy)phosphinic acid
1'-[1-Octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-dioctadecanoyl-rac-glycero-3-phospho]-glycerol
1'-[1-Stearoyl-2-oleoyl-sn-glycero-3-phospho],3'-[1,2-distearoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:0/18:1(9Z)],3'-[18:0/18:0])
CL(18:0/18:1/18:0/18:0)
CL(72:1)
Cardiolipin(18:0/18:1/18:0/18:0)
Cardiolipin(72:1)
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy][(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphinic acid

SLM:000517095
slm:000517095
QRUKKEARKNGSKN-ZMLGNIFOSA-L 		Cardiolipin (18:0/18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1'-[1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:0/18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB57150 		secondary/obsolete/fantasy identifier