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CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))

PropertiesImage
MNX_IDMNXM121801 Image of MNXM121801
referencehmdb:HMDB0057042
formulaC85H152O17P2
global charge0
mol weight1508.082
InChIKeyVAPGWFPXGQSPQP-UUMOHMKLSA-N
InChIInChI=1S/C85H152O17P2/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/h9,13,21,25,28,32-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,50-46-,62-58-/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)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C85H152O17P2/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/h9,13,21,25,28,32-33,37,39-40,46,50,58,62,79-81,86H,5-8,10-12,14-20,22-24,26-27,29-31,34-36,38,41-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,32-28-,37-33-,40-39-,50-46-,62-58-/t79-,80+,81+/m0/s1 Image of MNXM121801
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]/[CH:58]=[CH: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][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][CH2:42][CH2:35][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][CH2:43][CH2:36]/[CH:32]=[CH: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
hmdb:HMDB0057042
VAPGWFPXGQSPQP-UUMOHMKLSA-N 		CL(18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
(2S)-3-{[(2R)-2,3-bis(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid
1'-[1,2-Dioctadecanoyl-rac-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Distearoyl-rac-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:0/18:0],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(18:0/18:0/22:6/22:6)
CL(80:12)
Cardiolipin(18:0/18:0/22:6/22:6)
Cardiolipin(80:12)
[(2S)-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid

SLM:000521219
slm:000521219
VAPGWFPXGQSPQP-MZUGYNSGSA-L 		Cardiolipin (18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
1'-[1,2-di-octadecanoyl-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))

hmdb:HMDB57042 		secondary/obsolete/fantasy identifier