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1-(11-methyldodecanoyl)-3-octacosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM189396 Image of MNXM189396
referenceslm:000124824
formulaC44H86O5
global charge0
mol weight695.167
InChIKeyURTKENDEMQTPJP-WBCKFURZSA-N
InChIInChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31-34-37-43(46)48-39-42(45)40-49-44(47)38-35-32-29-26-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C44H86O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31-34-37-43(46)48-39-42(45)40-49-44(47)38-35-32-29-26-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m0/s1 Image of MNXM189396
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C:43](=[O:46])[O:48][CH2:39][C@@H:42]([CH2:40][O:49][C:44]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:27][CH2:30][CH2:33][CH2:36][CH:41]([CH3:2])[CH3:3])=[O:47])[OH:45]
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:000124824
slm:000124824
URTKENDEMQTPJP-WBCKFURZSA-N
1-(11-methyldodecanoyl)-3-octacosanoyl-sn-glycerol
DG(13:0/0:0/28:0)
Diacylglycerol (13:0/0:0/28:0)