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CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))

PropertiesImage
MNX_IDMNXM122717 Image of MNXM122717
referencehmdb:HMDB0058443
formulaC83H146O17P2
global charge0
mol weight1478.012
InChIKeyAHNXEZKAPQXZAW-DJBQWHJKSA-N
InChIInChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77-,78-,79-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C83H146O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-45-48-52-56-60-64-68-81(86)94-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-41-35-31-27-23-19-15-11-7-3)74-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h21,25,27-28,31-34,36,38-40,45,48,56,60,77-79,84H,5-20,22-24,26,29-30,35,37,41-44,46-47,49-55,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,31-27-,32-28-,36-33-,39-38-,40-34-,48-45-,60-56-/t77-,78-,79-/m1/s1 Image of MNXM122717
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:45]=[CH:48]\[CH2:52]/[CH:56]=[CH:60]\[CH2:64][CH2:68][C:81](=[O:86])[O:94][CH2:73][C@H:78]([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:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:44]/[CH:40]=[CH:34]\[CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:85])[O:100][C:83]([CH2:70][CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:41][CH2:35]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:88])[OH:84])[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]
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:HMDB0058443
AHNXEZKAPQXZAW-DJBQWHJKSA-N 		CL(18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy((2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid
1'-[1-(9Z-Octadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Oleoyl-2-vaccenoyl-sn-glycero-3-phospho],3'-[1,2-diosbondoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[18:1(9Z)/18:1(11Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)])
CL(18:1/18:1/22:5/22:5)
CL(80:12)
Cardiolipin(18:1/18:1/22:5/22:5)
Cardiolipin(80:12)
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy][(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid

SLM:000555146
slm:000555146
AHNXEZKAPQXZAW-NUJHARMISA-L 		Cardiolipin (18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
1'-[1-(9Z-octadecenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (18:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))

hmdb:HMDB58443 		secondary/obsolete/fantasy identifier