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CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))

PropertiesImage
MNX_IDMNXM120753 Image of MNXM120753
referencehmdb:HMDB0056474
formulaC85H146O17P2
global charge0
mol weight1502.034
InChIKeyOHOJUZMOSQSGTD-MAAUHPQZSA-N
InChIInChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79-,80+,81+/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)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C85H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-42-40-38-36-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-46-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-31-27-23-19-15-11-7-3/h9,13,21-22,25-26,33-36,39-42,47-48,50,52,60,64,79-81,86H,5-8,10-12,14-20,23-24,27-32,37-38,43-46,49,51,53-59,61-63,65-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,35-33-,36-34-,41-39-,42-40-,50-47-,52-48-,64-60-/t79-,80+,81+/m0/s1 Image of MNXM120753
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:39]=[CH:41]\[CH2:43]/[CH:47]=[CH:50]\[CH2:54][CH2:58][CH2:62][CH2:66][CH2:70][C:83](=[O:88])[O:96][CH2:76][C@H:81]([CH2:78][O:100][P:104]([OH:93])(=[O:94])[O:98][CH2:74][C@H:79]([CH2:73][O:97][P:103]([OH:91])(=[O:92])[O:99][CH2:77][C@@H:80]([CH2:75][O:95][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:87])[O:101][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:46][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89])[OH:86])[O:102][C:85]([CH2:72][CH2:68]/[CH:64]=[CH:60]\[CH2:56]/[CH:52]=[CH:48]\[CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:90]
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:HMDB0056474
OHOJUZMOSQSGTD-MAAUHPQZSA-N 		CL(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
(2S)-3-{[(2R)-2,3-bis(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy)phosphinic acid
1'-[1,2-Dihexadecanoyl-rac-glycero-3-phospho],3'-[1,2-di(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1,2-Dipalmitoyl-rac-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/16:0],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(16:0/16:0/22:5/22:5)
CL(76:10)
Cardiolipin(16:0/16:0/22:5/22:5)
Cardiolipin(76:10)
[(2S)-3-({[(2R)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy]phosphinic acid

SLM:000513403
slm:000513403
OHOJUZMOSQSGTD-CGTIZHQRSA-L 		Cardiolipin (16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1'-[1,2-di-hexadecanoyl-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))

hmdb:HMDB56474 		secondary/obsolete/fantasy identifier