Search MNXref
 Feedback

3-(Phosphonooxy)-1,2-propanediyl dioctadecanoate

MNXM51279 is deprecated and here replaced by MNXM737489
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737489 Image of MNXM737489
referencechebi:176709
formulaC39H77O8P
global charge0
mol weight705.011
InChIKeyYFWHNAWEOZTIPI-UHFFFAOYSA-N
InChIInChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37? Image of MNXM737489
SMILES (mnx)[CH3:1][CH2:3][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][CH2:31][CH2:33][C:38](=[O:40])[O:45][CH2:35][CH:37]([CH2:36][O:46][P:48]([OH:42])([OH:43])=[O:44])[O:47][C:39]([CH2:34][CH2:32][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][CH2:4][CH3:2])=[O:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)19
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176709
chebi:176709
YFWHNAWEOZTIPI-UHFFFAOYSA-N 		3-(Phosphonooxy)-1,2-propanediyl dioctadecanoate
(2-octadecanoyloxy-3-phosphonooxypropyl) octadecanoate

bigg.metabolite:pa180
biggM:pa180
vmhM:pa180
vmhmetabolite:pa180
YFWHNAWEOZTIPI-UHFFFAOYSA-L
YFWHNAWEOZTIPI-UHFFFAOYSA-M 		1,2-dioctadecanoyl-sn-glycerol 3-phosphate

biggM:M_pa180
vmhM:M_pa180 		secondary/obsolete/fantasy identifier