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

PropertiesImage
MNX_IDMNXM121103 Image of MNXM121103
referencehmdb:HMDB0056825
formulaC91H148O17P2
global charge0
mol weight1576.116
InChIKeyVSICENXCTSVRQQ-SYUGEDNJSA-N
InChIInChI=1S/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-54,56-58,65,69,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,55,59-64,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-/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)CCCCCCCCCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C91H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-44-41-38-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-46-43-40-37-34-30-26-22-18-14-10-6-2/h9,11,13,15,21-23,25-27,33-38,42-47,52-54,56-58,65,69,85-87,92H,5-8,10,12,14,16-20,24,28-32,39-41,48-51,55,59-64,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,15-11-,25-21-,26-22-,27-23-,36-33-,37-34-,38-35-,45-42-,46-43-,47-44-,56-52-,57-53-,58-54-,69-65-/t85-,86+,87+/m0/s1 Image of MNXM121103
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48]/[CH:52]=[CH:56]\[CH2:60][CH2:64][CH2:68][CH2:72][CH2:76][C:89](=[O:94])[O:102][CH2:82][C@H:87]([CH2:84][O:106][P:110]([OH:99])(=[O:100])[O:104][CH2:80][C@H:85]([CH2:79][O:103][P:109]([OH:97])(=[O:98])[O:105][CH2:83][C@@H:86]([CH2:81][O:101][C:88]([CH2:75][CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:93])[O:107][C:90]([CH2:77][CH2:73]/[CH:69]=[CH:65]\[CH2:61]/[CH:57]=[CH:53]\[CH2:49]/[CH:46]=[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:95])[OH:92])[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]
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:HMDB0056825
VSICENXCTSVRQQ-SYUGEDNJSA-N 		CL(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/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)-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(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-osbondoyl-sn-glycero-3-phospho],3'-[1,2-didocosapentaenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/22:5(4Z,7Z,10Z,13Z,16Z)],3'-[22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)])
CL(16:0/22:5/22:5/22:5)
CL(82:15)
Cardiolipin(16:0/22:5/22:5/22:5)
Cardiolipin(82:15)
[(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)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid

SLM:000513775
slm:000513775
VSICENXCTSVRQQ-SWNLMTNUSA-L 		Cardiolipin (16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1'-[1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB56825 		secondary/obsolete/fantasy identifier