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1,2-Diacyl-sn-glycerol (dihexadec-9-enoyl, n-C16:1)

PropertiesImage
MNX_IDMNXM3774 Image of MNXM3774
referencebiggM:12dgr161
formulaC35H64O5
global charge0
mol weight564.892
InChIKeyHSQHRRHRYJNSOC-UHFFFAOYSA-N
InChIInChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36H,3-12,17-32H2,1-2H3
SMILESCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36H,3-12,17-32H2,1-2H3/b15-13?,16-14?/t33? Image of MNXM3774
SMILES (mnx)[CH3:1][CH2:2][CH:3]([CH2:4][C:5](=[CH2:6])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH2:22][CH2:23][C:24](=[CH2:25])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH:33]=[CH:34][CH2:35][O:36][O:37][O:38][O:39][OH:40]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)89
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:12dgr161
biggM:12dgr161
vmhM:12dgr161
vmhM:12dgr161
vmhmetabolite:12dgr161
vmhmetabolite:12dgr161
HSQHRRHRYJNSOC-UHFFFAOYSA-N 		1,2-Diacyl-sn-glycerol (dihexadec-9-enoyl, n-C16:1)

seed.compound:cpd15310
seedM:cpd15310
HSQHRRHRYJNSOC-UHFFFAOYSA-N 		1,2-Diacyl-sn-glycerol dihexadec-9-enoyl
12dgr161

biggM:M_12dgr161
seedM:M_cpd15310
vmhM:M_12dgr161 		secondary/obsolete/fantasy identifier