Search MNXref
 Feedback

CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))

PropertiesImage
MNX_IDMNXM121249 Image of MNXM121249
referencehmdb:HMDB0057492
formulaC79H140O17P2
global charge0
mol weight1423.92
InChIKeyBMUURCHMHKPVLM-IMUQTVIZSA-N
InChIInChI=1S/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,38,42,50,54,73-75,80H,5-20,22-24,29,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,42-38-,54-50-/t73-,74+,75+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C79H140O17P2/c1-5-9-13-17-21-25-29-33-35-36-38-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(95-78(83)65-61-57-53-49-45-40-32-28-24-20-16-12-8-4)69-89-76(81)63-59-55-51-47-43-39-31-27-23-19-15-11-7-3/h21,25-28,30-33,35,38,42,50,54,73-75,80H,5-20,22-24,29,34,36-37,39-41,43-49,51-53,55-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,30-26-,31-27-,32-28-,35-33-,42-38-,54-50-/t73-,74+,75+/m0/s1 Image of MNXM121249
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:36]/[CH:38]=[CH:42]\[CH2:46]/[CH:50]=[CH:54]\[CH2:58][CH2:62][CH2:66][C:79](=[O:84])[O:96][C@H:75]([CH2:70][O:90][C:77]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:82])[CH2:72][O:94][P:98]([OH:87])(=[O:88])[O:92][CH2:68][C@H:73]([CH2:67][O:91][P:97]([OH:85])(=[O:86])[O:93][CH2:71][C@@H:74]([CH2:69][O:89][C:76]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:81])[O:95][C:78]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:40]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:83])[OH:80]
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:HMDB0057492
BMUURCHMHKPVLM-IMUQTVIZSA-N 		CL(16:1(9Z)/16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
(2S)-3-{[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid
1'-[1,2-Di(9Z-hexadecenoyl)-rac-glycero-3-phospho],3'-[1,2-di(11Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Dipalmitoleoyl-rac-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/16:1(9Z)],3'-[18:1(11Z)/18:1(11Z)])
CL(16:1/16:1/18:1/18:1)
CL(68:4)
Cardiolipin(16:1/16:1/18:1/18:1)
Cardiolipin(68:4)
[(2S)-3-({[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid

SLM:000532091
slm:000532091
BMUURCHMHKPVLM-PCEVVLCUSA-L 		Cardiolipin (16:1(9Z)/16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
1'-[1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(11Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:1(9Z)/16:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))

hmdb:HMDB57492 		secondary/obsolete/fantasy identifier