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1-(15-methylhexadecanoyl)-2-heneicosanoyl-3-heneicosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM230262 Image of MNXM230262
referenceslm:000231596
formulaC62H120O6
global charge0
mol weight961.636
InChIKeyHIVOOMCBXFGTJI-MNPYLUJASA-N
InChIInChI=1S/C62H120O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41-45-49-53-60(63)66-56-59(57-67-61(64)54-50-46-42-38-35-31-32-36-40-44-48-52-58(3)4)68-62(65)55-51-47-43-39-34-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h58-59H,5-57H2,1-4H3/t59-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C62H120O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41-45-49-53-60(63)66-56-59(57-67-61(64)54-50-46-42-38-35-31-32-36-40-44-48-52-58(3)4)68-62(65)55-51-47-43-39-34-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h58-59H,5-57H2,1-4H3/t59-/m0/s1 Image of MNXM230262
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][C:60](=[O:63])[O:66][CH2:56][C@@H:59]([CH2:57][O:67][C:61]([CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:35][CH2:31][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH:58]([CH3:3])[CH3:4])=[O:64])[O:68][C:62]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:34][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:65]
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

SLM:000231596
slm:000231596
HIVOOMCBXFGTJI-MNPYLUJASA-N
1-(15-methylhexadecanoyl)-2-heneicosanoyl-3-heneicosanoyl-sn-glycerol
TG(17:0/21:0/21:0)
Triacylglycerol (17:0/21:0/21:0)
hmdb:HMDB0066752
HIVOOMCBXFGTJI-MNPYLUJASA-N
TG(21:0/21:0/i-17:0)
(2S)-1-(henicosanoyloxy)-3-[(15-methylhexadecanoyl)oxy]propan-2-yl henicosanoate
1-heneicosyloyl-2-heneicosyloyl-3-isoheptadecanoyl-glycerol
TG(59:0)
Tag(21:0/21:0/i-17:0)
Tag(59:0)
Tracylglycerol(21:0/21:0/i-17:0)
Tracylglycerol(59:0)
Triacylglycerol
Triacylglycerol(21:0/21:0/i-17:0)
Triacylglycerol(59:0)
Triglyceride

hmdb:HMDB66752
secondary/obsolete/fantasy identifier