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

PropertiesImage
MNX_IDMNXM121420 Image of MNXM121420
referencehmdb:HMDB0057629
formulaC83H146O17P2
global charge0
mol weight1478.012
InChIKeyWNJWJRBBPKXDHQ-PAHHDNPZSA-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)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,28,32-36,38-41,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,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)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
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)68-64-60-56-52-48-44-40-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,25,28,32-36,38-41,46,50,77-79,84H,5-8,10-12,14-20,22-24,26-27,29-31,37,42-45,47-49,51-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,32-28-,36-33-,39-38-,40-34-,41-35-,50-46-/t77-,78+,79+/m0/s1 Image of MNXM121420
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][CH2:44]/[CH:40]=[CH:34]\[CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[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][CH2:43]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:85])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45]/[CH:41]=[CH:35]\[CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[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:HMDB0057629
WNJWJRBBPKXDHQ-PAHHDNPZSA-N 		CL(16:1(9Z)/18:1(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)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(9Z-Hexadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(9Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoleoyl-2-oleoyl-sn-glycero-3-phospho],3'-[1,2-dioleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/18:1(9Z)],3'-[18:1(9Z)/18:1(9Z)])
CL(16:1/18:1/18:1/18:1)
CL(70:4)
Cardiolipin(16:1/18:1/18:1/18:1)
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)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000532545
slm:000532545
WNJWJRBBPKXDHQ-HKLYEXAHSA-L 		Cardiolipin (16:1(9Z)/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1'-[1-(9Z-hexadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:1(9Z)/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))

hmdb:HMDB57629 		secondary/obsolete/fantasy identifier