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CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM122182 Image of MNXM122182
referencehmdb:HMDB0057947
formulaC83H146O17P2
global charge0
mol weight1478.012
InChIKeyYUCIJBVWDWKJAY-KZAPUUDBSA-N
InChIInChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-/t77-,78+,79+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21,25-26,28,30,32-33,35-36,38-39,41,46,50,77-79,84H,5-8,10-12,14-20,22-24,27,29,31,34,37,40,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,30-26-,32-28-,36-33-,39-38-,41-35-,50-46-/t77-,78+,79+/m0/s1 Image of MNXM122182
SMILES (mnx)[CH3:1][CH2:5]/[CH:9]=[CH: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][CH2:58][CH2:62][CH2:66][CH2:70][C:83](=[O:88])[O:100][C@H:79]([CH2:74][O:94][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:45]/[CH:41]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:86])[CH2:76][O:98][P:102]([OH:91])(=[O:92])[O:96][CH2:72][C@H:77]([CH2:71][O:95][P:101]([OH:89])(=[O:90])[O:97][CH2:75][C@@H:78]([CH2:73][O:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:44][CH2:40][CH2:34]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:85])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:43]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[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:HMDB0057947
YUCIJBVWDWKJAY-KZAPUUDBSA-N 		CL(18:1(11Z)/16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy((2S)-3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(11Z-Octadecenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Vaccenoyl-2-palmitoleoyl-sn-glycero-3-phospho],3'-[1,2-dioleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(11Z)/16:1(9Z)],3'-[18:1(9Z)/18:1(9Z)])
CL(18:1/16:1/18:1/18:1)
CL(70:4)
Cardiolipin(18:1/16:1/18:1/18:1)
Cardiolipin(70:4)
[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy][(2S)-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000544505
slm:000544505
YUCIJBVWDWKJAY-GVLMGVDKSA-L 		Cardiolipin (18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/16:1(9Z))
1'-[1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(11Z-octadecenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/16:1(9Z))

hmdb:HMDB57947 		secondary/obsolete/fantasy identifier