Search MNXref
 Feedback

CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

PropertiesImage
MNX_IDMNXM121127 Image of MNXM121127
referencehmdb:HMDB0056849
formulaC87H148O17P2
global charge0
mol weight1528.072
InChIKeyBZNHINUTKPQVTA-XGPPDXDJSA-N
InChIInChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-37,40-44,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,66-62-/t81-,82+,83+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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\CCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-38-40-42-45-49-53-57-61-65-69-73-86(91)103-82(77-97-84(89)71-67-63-59-55-51-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(78-98-85(90)72-68-64-60-56-52-48-44-35-31-27-23-19-15-11-7-3)104-87(92)74-70-66-62-58-54-50-46-43-41-39-37-34-30-26-22-18-14-10-6-2/h9,13,21-22,25-26,33-37,40-44,49-50,53-54,62,66,81-83,88H,5-8,10-12,14-20,23-24,27-32,38-39,45-48,51-52,55-61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,36-33-,37-34-,42-40-,43-41-,44-35-,53-49-,54-50-,66-62-/t81-,82+,83+/m0/s1 Image of MNXM121127
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:38]/[CH:40]=[CH:42]\[CH2:45]/[CH:49]=[CH:53]\[CH2:57][CH2:61][CH2:65][CH2:69][CH2:73][C:86](=[O:91])[O:103][C@H:82]([CH2:77][O:97][C:84]([CH2:71][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:89])[CH2:79][O:101][P:105]([OH:93])(=[O:94])[O:99][CH2:75][C@@H:81]([CH2:76][O:100][P:106]([OH:95])(=[O:96])[O:102][CH2:80][C@@H:83]([CH2:78][O:98][C:85]([CH2:72][CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48]/[CH:44]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:90])[O:104][C:87]([CH2:74][CH2:70]/[CH:66]=[CH:62]\[CH2:58]/[CH:54]=[CH:50]\[CH2:46]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:92])[OH:88]
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:HMDB0056849
BZNHINUTKPQVTA-XGPPDXDJSA-N 		CL(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy((2S)-3-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-docosapentaenoyl-sn-glycero-3-phospho],3'-[1,2-dioleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/22:5(7Z,10Z,13Z,16Z,19Z)],3'-[18:1(9Z)/18:1(9Z)])
CL(16:0/22:5/18:1/18:1)
CL(74:7)
Cardiolipin(16:0/22:5/18:1/18:1)
Cardiolipin(74:7)
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy][(2S)-3-({[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000511623
slm:000511623
BZNHINUTKPQVTA-PEPQXASDSA-L 		Cardiolipin (16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1'-[1-hexadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

hmdb:HMDB56849 		secondary/obsolete/fantasy identifier