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

PropertiesImage
MNX_IDMNXM120912 Image of MNXM120912
referencehmdb:HMDB0056634
formulaC83H146O17P2
global charge0
mol weight1478.012
InChIKeyQBNRNJIFXHAWKE-KUUXOSBXSA-N
InChIInChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-44-,60-56-/t77-,78+,79+/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)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-27,30-31,33,36,38-39,44,48,56,60,77-79,84H,5-8,10-12,14-20,22-24,28-29,32,34-35,37,40-43,45-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,31-27-,36-33-,39-38-,48-44-,60-56-/t77-,78+,79+/m0/s1 Image of MNXM120912
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:37]/[CH:38]=[CH:39]\[CH2:42]/[CH:44]=[CH:48]\[CH2:52]/[CH:56]=[CH:60]\[CH2:64][CH2:68][C:81](=[O:86])[O:94][CH2:74][C@H:79]([CH2:76][O:98][P:102]([OH:91])(=[O:92])[O:96][CH2:72][C@H:77]([CH2:71][O:95][P:101]([OH:89])(=[O:90])[O:97][CH2:75][C@@H:78]([CH2:73][O:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:85])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:40][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:87])[OH:84])[O:100][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:41][CH2:35]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:88]
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:HMDB0056634
QBNRNJIFXHAWKE-KUUXOSBXSA-N 		CL(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy((2S)-3-{[(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-vaccenoyl-sn-glycero-3-phospho],3'-[1,2-didocosahexaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/18:1(11Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
CL(16:0/18:1/22:6/22:6)
CL(78:13)
Cardiolipin(16:0/18:1/22:6/22:6)
Cardiolipin(78:13)
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy][(2S)-3-({[(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000513889
slm:000513889
QBNRNJIFXHAWKE-LBQGDPCFSA-L 		Cardiolipin (16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
1'-[1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))

hmdb:HMDB56634 		secondary/obsolete/fantasy identifier