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CL(16:0/16:1(9Z)/18:1(11Z)/16:0)

PropertiesImage
MNX_IDMNXM120787 Image of MNXM120787
referencehmdb:HMDB0056555
formulaC75H142O17P2
global charge0
mol weight1377.892
InChIKeyXHDPRPBHXDDINI-FSTLVUEISA-N
InChIInChI=1S/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,27,29,31,69-71,76H,5-24,26,28,30,32-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,31-27-/t69-,70+,71+/m0/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C75H142O17P2/c1-5-9-13-17-21-25-29-33-34-38-40-44-48-52-56-60-73(78)86-66-71(92-75(80)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3)65-85-72(77)59-55-51-47-43-39-35-30-26-22-18-14-10-6-2/h25,27,29,31,69-71,76H,5-24,26,28,30,32-68H2,1-4H3,(H,81,82)(H,83,84)/b29-25-,31-27-/t69-,70+,71+/m0/s1 Image of MNXM120787
SMILES (mnx)[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21]/[CH:25]=[CH:29]\[CH2:33][CH2:34][CH2:38][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][C:73](=[O:78])[O:86][CH2:66][C@H:71]([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][CH2:30][CH2:26][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][CH2:36]/[CH:31]=[CH:27]\[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:79])[OH:76])[O:92][C:75]([CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:37][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:80]
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:HMDB0056555
XHDPRPBHXDDINI-FSTLVUEISA-N 		CL(16:0/16:1(9Z)/18:1(11Z)/16:0)
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propoxy((2R)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid
1'-[1-Hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di(11Z-octadecenoyl)-rac-glycero-3-phospho]-glycerol
1'-[1-Palmitoyl-2-palmitoleoyl-sn-glycero-3-phospho],3'-[1,2-divaccenoyl-rac-glycero-3-phospho]-glycerol
CL(1'-[16:0/16:1(9Z)],3'-[18:1(11Z)/18:1(11Z)])
CL(16:0/16:1/18:1/18:1)
CL(68:3)
Cardiolipin(16:0/16:1/18:1/18:1)
Cardiolipin(68:3)
[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propoxy][(2R)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

SLM:000511044
slm:000511044
XHDPRPBHXDDINI-RWDBNWLLSA-L 		Cardiolipin (16:0/16:1(9Z)/18:1(11Z)/16:0)
1'-[1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(11Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol
CL (16:0/16:1(9Z)/18:1(11Z)/16:0)

hmdb:HMDB56555 		secondary/obsolete/fantasy identifier