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CL(16:1(9Z)/18:0/16:1(9Z)/16:1(9Z))

PropertiesImage
MNX_IDMNXM121313 Image of MNXM121313
referencehmdb:HMDB0057445
formulaC75H140O17P2
global charge0
mol weight1375.876
InChIKeyLEGNGODAXBLKTR-JMZXJXASSA-N
InChIInChI=1S/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-28,30-32,69-71,76H,5-25,29,33-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,32-28-/t69-,70-,71-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C75H140O17P2/c1-5-9-13-17-21-25-29-33-34-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-36-31-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-37-32-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h26-28,30-32,69-71,76H,5-25,29,33-68H2,1-4H3,(H,81,82)(H,83,84)/b30-26-,31-27-,32-28-/t69-,70-,71-/m1/s1 Image of MNXM121313
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH2:62][C:75](=[O:80])[O:92][C@H:71]([CH2:66][O:86][C:73]([CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:78])[CH2:68][O:90][P:94]([OH:83])(=[O:84])[O:88][CH2:64][C@@H:69]([CH2:63][O:87][P:93]([OH:81])(=[O:82])[O:89][CH2:67][C@@H:70]([CH2:65][O:85][C:72]([CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35]/[CH:30]=[CH:26]\[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:77])[O:91][C:74]([CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37]/[CH:32]=[CH:28]\[CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:79])[OH:76]
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:HMDB0057445
LEGNGODAXBLKTR-JMZXJXASSA-N 		CL(16:1(9Z)/18:0/16:1(9Z)/16:1(9Z))
(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy((2S)-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-(9Z-Hexadecenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-di(9Z-hexadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoleoyl-2-stearoyl-sn-glycero-3-phospho],3'-[1,2-dipalmitoleoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:1(9Z)/18:0],3'-[16:1(9Z)/16:1(9Z)])
CL(16:1/18:0/16:1/16:1)
CL(66:3)
Cardiolipin(16:1/18:0/16:1/16:1)
Cardiolipin(66:3)
[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy][(2S)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000531426
slm:000531426
LEGNGODAXBLKTR-ZOUQZYRZSA-L 		Cardiolipin (16:1(9Z)/18:0/16:1(9Z)/16:1(9Z))
1'-[1-(9Z-hexadecenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-glycerol
CL (16:1(9Z)/18:0/16:1(9Z)/16:1(9Z))

hmdb:HMDB57445 		secondary/obsolete/fantasy identifier