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1,2-di-(15-methylhexadecanoyl)-3-octadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM175080 Image of MNXM175080
referenceslm:000161092
formulaC55H106O6
global charge0
mol weight863.447
InChIKeyYFKIRPWXEDNMJC-MPLRIKRWSA-N
InChIInChI=1S/C55H106O6/c1-6-7-8-9-10-11-12-13-14-15-20-25-30-35-40-45-53(56)59-48-52(61-55(58)47-42-37-32-27-22-17-19-24-29-34-39-44-51(4)5)49-60-54(57)46-41-36-31-26-21-16-18-23-28-33-38-43-50(2)3/h50-52H,6-49H2,1-5H3/t52-/m0/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C55H106O6/c1-6-7-8-9-10-11-12-13-14-15-20-25-30-35-40-45-53(56)59-48-52(61-55(58)47-42-37-32-27-22-17-19-24-29-34-39-44-51(4)5)49-60-54(57)46-41-36-31-26-21-16-18-23-28-33-38-43-50(2)3/h50-52H,6-49H2,1-5H3/t52-/m0/s1 Image of MNXM175080
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:25][CH2:30][CH2:35][CH2:40][CH2:45][C:53](=[O:56])[O:59][CH2:48][C@@H:52]([CH2:49][O:60][C:54]([CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH2:16][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH:50]([CH3:2])[CH3:3])=[O:57])[O:61][C:55]([CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH2:17][CH2:19][CH2:24][CH2:29][CH2:34][CH2:39][CH2:44][CH:51]([CH3:4])[CH3:5])=[O:58]
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:000161092
slm:000161092
YFKIRPWXEDNMJC-MPLRIKRWSA-N
1,2-di-(15-methylhexadecanoyl)-3-octadecanoyl-sn-glycerol
TG(17:0/17:0/18:0)
Triacylglycerol (17:0/17:0/18:0)
hmdb:HMDB0108734
YFKIRPWXEDNMJC-MPLRIKRWSA-N
TG(18:0/i-17:0/i-17:0)
(2S)-2,3-Bis[(15-methylhexadecanoyl)oxy]propyl octadecanoic acid
(2S)-2,3-bis[(15-methylhexadecanoyl)oxy]propyl octadecanoate
1-octadecanoyl-2-isoheptadecanoyl-3-isoheptadecanoyl-glycerol
1-stearoyl-2-isoheptadecanoyl-3-isoheptadecanoyl-glycerol
TAG(18:0/i-17:0/i-17:0)
TAG(52:0)
TG(52:0)
Tracylglycerol(18:0/i-17:0/i-17:0)
Tracylglycerol(52:0)
Triacylglycerol
Triglyceride