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CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))

PropertiesImage
MNX_IDMNXM121708 Image of MNXM121708
referencehmdb:HMDB0057080
formulaC83H144O17P2
global charge0
mol weight1475.996
InChIKeyQXKURLRXPOSBAV-FUXMAVAFSA-N
InChIInChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77-,78+,79+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)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/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h21-22,25-26,28,32-34,36-37,41-42,45-46,52,54,56,58,77-79,84H,5-20,23-24,27,29-31,35,38-40,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,32-28-,36-33-,37-34-,45-41-,46-42-,56-52-,58-54-/t77-,78+,79+/m0/s1 Image of MNXM121708
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:38]/[CH:41]=[CH:45]\[CH2:48]/[CH:52]=[CH: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][CH2:44][CH2:40][CH2:35][CH2:31][CH2:27][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][CH2:43]/[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:37]=[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:HMDB0057080
QXKURLRXPOSBAV-FUXMAVAFSA-N 		CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
(2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy((2S)-3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-Octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Stearoyl-2-palmitoleoyl-sn-glycero-3-phospho],3'-[1,2-diarachidonoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:0/16:1(9Z)],3'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)])
CL(18:0/16:1/20:4/20:4)
CL(74:9)
Cardiolipin(18:0/16:1/20:4/20:4)
Cardiolipin(74:9)
[(2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][(2S)-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000523271
slm:000523271
QXKURLRXPOSBAV-GGJPBUDWSA-L 		Cardiolipin (18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
1'-[1-octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))

hmdb:HMDB57080 		secondary/obsolete/fantasy identifier