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

PropertiesImage
MNX_IDMNXM1106674 Image of MNXM1106674
referencehmdb:HMDB0059007
formulaC85H140O17P2
global charge0
mol weight1495.986
InChIKeyHGKYQAXGCAKAMA-GOPGSFBMSA-N
InChIInChI=1S/C85H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-44-41-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,42-44,46-48,53-54,56-58,60,79-81,86H,5-20,24,29-31,39-41,45,49-52,55,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,46-42-,47-43-,48-44-,57-53-,58-54-,60-56-/t79-,80+,81+/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)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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/C85H140O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-46-49-53-57-61-65-69-82(87)95-75-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-44-41-38-35-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-47-43-40-37-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-38,42-44,46-48,53-54,56-58,60,79-81,86H,5-20,24,29-31,39-41,45,49-52,55,59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,46-42-,47-43-,48-44-,57-53-,58-54-,60-56-/t79-,80+,81+/m0/s1 Image of MNXM1106674
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:39]/[CH:42]=[CH:46]\[CH2:49]/[CH:53]=[CH:57]\[CH2:61][CH2:65][CH2:69][C:82](=[O:87])[O:95][CH2:75][C@H:80]([CH2:77][O:99][P:103]([OH:91])(=[O:92])[O:97][CH2:73][C@@H:79]([CH2:74][O:98][P:104]([OH:93])(=[O:94])[O:100][CH2:78][C@@H:81]([CH2:76][O:96][C:83]([CH2:70][CH2:66][CH2:62]/[CH:58]=[CH:54]\[CH2:50]/[CH:47]=[CH:43]\[CH2:40]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:88])[O:102][C:85]([CH2:72][CH2:68][CH2:64]/[CH:60]=[CH:56]\[CH2:52]/[CH:48]=[CH:44]\[CH2:41]/[CH:38]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:90])[OH:86])[O:101][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:45]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89]
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:HMDB0059007
HGKYQAXGCAKAMA-GOPGSFBMSA-N 		CL(20:4(5Z,8Z,11Z,14Z)/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-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(5Z,8Z,11Z,14Z-eicosatetraenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Arachidonoyl-2-palmitoleoyl-sn-glycero-3-phospho],3'-[1,2-diarachidonoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[20:4(5Z,8Z,11Z,14Z)/16:1(9Z)],3'-[20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)])
CL(20:4/16:1/20:4/20:4)
CL(76:13)
Cardiolipin(20:4/16:1/20:4/20:4)
Cardiolipin(76:13)
[(2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy][(2S)-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

hmdb:HMDB59007 		secondary/obsolete/fantasy identifier