Search MNXref
 Feedback

CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))

PropertiesImage
MNX_IDMNXM121299 Image of MNXM121299
referencehmdb:HMDB0057542
formulaC83H140O17P2
global charge0
mol weight1471.964
InChIKeyBZWNBLRLXWKVIX-QBJLEPRMSA-N
InChIInChI=1S/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,38,40,42,45-46,48,54,58,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,41,43-44,47,49-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-/t77-,78+,79+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](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)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C83H140O17P2/c1-5-9-13-17-21-25-29-33-35-37-38-40-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-36-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-44-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-43-31-27-23-19-15-11-7-3/h9,13,21-22,25-28,31-36,38,40,42,45-46,48,54,58,77-79,84H,5-8,10-12,14-20,23-24,29-30,37,39,41,43-44,47,49-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,31-27-,32-28-,35-33-,36-34-,40-38-,46-42-,48-45-,58-54-/t77-,78+,79+/m0/s1 Image of MNXM121299
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:35]\[CH2:37]/[CH:38]=[CH:40]\[CH2:41]/[CH:45]=[CH:48]\[CH2:52][CH2:56][CH2:60][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]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:85])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:44]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:87])[OH:84])[O:100][C:83]([CH2:70][CH2:66][CH2:62]/[CH:58]=[CH:54]\[CH2:50]/[CH:46]=[CH:42]\[CH2:39]/[CH:36]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[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:HMDB0057542
BZWNBLRLXWKVIX-QBJLEPRMSA-N 		CL(16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
(2S)-3-{[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy)phosphinic acid
1'-[1,2-Di(9Z-hexadecenoyl)-rac-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Dipalmitoleoyl-rac-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/16:1(9Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(16:1/16:1/22:5/22:5)
CL(76:12)
Cardiolipin(16:1/16:1/22:5/22:5)
Cardiolipin(76:12)
[(2S)-3-({[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid

SLM:000534491
slm:000534491
BZWNBLRLXWKVIX-ITLTWEHPSA-L 		Cardiolipin (16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
1'-[1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))

hmdb:HMDB57542 		secondary/obsolete/fantasy identifier