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CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))

PropertiesImage
MNX_IDMNXM121078 Image of MNXM121078
referencehmdb:HMDB0056800
formulaC83H144O17P2
global charge0
mol weight1475.996
InChIKeyNCHMDLMNMWBJTF-QIFYHSCISA-N
InChIInChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-36,38-41,46,50,58,62,77-79,84H,5-20,24,28-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77-,78+,79+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-36,38-41,46,50,58,62,77-79,84H,5-20,24,28-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,27-23-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77-,78+,79+/m0/s1 Image of MNXM121078
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:37]/[CH:38]=[CH:39]\[CH2:42]/[CH:46]=[CH:50]\[CH2:54]/[CH:58]=[CH:62]\[CH2:66][CH2:70][C:83](=[O:88])[O:100][C@H:78]([CH2:73][O:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:85])[CH2:75][O:97][P:101]([OH:89])(=[O:90])[O:95][CH2:71][C@@H:77]([CH2:72][O:96][P:102]([OH:91])(=[O:92])[O:98][CH2:76][C@@H:79]([CH2:74][O:94][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44]/[CH:40]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:86])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45]/[CH:41]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:87])[OH:84]
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:HMDB0056800
NCHMDLMNMWBJTF-QIFYHSCISA-N 		CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
(2R)-3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-osbondoyl-sn-glycero-3-phospho],3'-[1,2-dilinoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/22:5(4Z,7Z,10Z,13Z,16Z)],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
CL(16:0/22:5/18:2/18:2)
CL(74:9)
Cardiolipin(16:0/22:5/18:2/18:2)
Cardiolipin(74:9)
[(2R)-3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinate
[(2R)-3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid

SLM:000514577
slm:000514577
NCHMDLMNMWBJTF-BSQAYDQTSA-L 		Cardiolipin (16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
1'-[1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z))

hmdb:HMDB56800 		secondary/obsolete/fantasy identifier