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

PropertiesImage
MNX_IDMNXM123499 Image of MNXM123499
referencehmdb:HMDB0059248
formulaC91H146O17P2
global charge0
mol weight1574.1
InChIKeyKSFNFLAWZBKMOR-HKZKRDDMSA-N
InChIInChI=1S/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-56,58,63,67,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,57,59-62,64-66,68-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-/t85-,86+,87+/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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C91H146O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-55-59-63-67-71-75-88(93)101-81-86(107-90(95)77-73-69-65-61-57-51-32-28-24-20-16-12-8-4)83-105-109(97,98)103-79-85(92)80-104-110(99,100)106-84-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)82-102-89(94)76-72-68-64-60-56-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h10-11,14-15,21-23,25-28,32-38,42-47,52-56,58,63,67,85-87,92H,5-9,12-13,16-20,24,29-31,39-41,48-51,57,59-62,64-66,68-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,15-11-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,55-52-,56-53-,58-54-,67-63-/t85-,86+,87+/m0/s1 Image of MNXM123499
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:45]\[CH2:48]/[CH:52]=[CH:55]\[CH2:59]/[CH:63]=[CH:67]\[CH2:71][CH2:75][C:88](=[O:93])[O:101][CH2:81][C@H:86]([CH2:83][O:105][P:109]([OH:97])(=[O:98])[O:103][CH2:79][C@@H:85]([CH2:80][O:104][P:110]([OH:99])(=[O:100])[O:106][CH2:84][C@@H:87]([CH2:82][O:102][C:89]([CH2:76][CH2:72][CH2:68][CH2:64][CH2:60]/[CH:56]=[CH:53]\[CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18]/[CH:14]=[CH:10]\[CH2:6][CH3:2])=[O:94])[O:108][C:91]([CH2:78][CH2:74][CH2:70][CH2:66][CH2:62]/[CH:58]=[CH:54]\[CH2:50]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19]/[CH:15]=[CH:11]\[CH2:7][CH3:3])=[O:96])[OH:92])[O:107][C:90]([CH2:77][CH2:73][CH2:69][CH2:65][CH2:61][CH2:57][CH2:51]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:95]
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:HMDB0059248
KSFNFLAWZBKMOR-HKZKRDDMSA-N 		CL(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(2R)-3-{[(2R)-2,3-bis[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy)phosphinic acid
1'-[1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Osbondoyl-2-palmitoleoyl-sn-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(22:5/16:1/22:5/22:5)
CL(82:16)
Cardiolipin(22:5/16:1/22:5/22:5)
Cardiolipin(82:16)
[(2R)-3-({[(2R)-2,3-bis[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy]phosphinic acid

SLM:000576316
slm:000576316
KSFNFLAWZBKMOR-BKHHKSIESA-L 		Cardiolipin (22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB59248 		secondary/obsolete/fantasy identifier