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13-octadecanoyloxy-octadecanoate

PropertiesImage
MNX_IDMNXM163121 Image of MNXM163121
referencechebi:136335
formulaC36H69O4
global charge-1
mol weight565.944
InChIKeyOCKHONDLGBRMHC-UHFFFAOYSA-M
InChIInChI=1S/C36H70O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-36(39)40-34(30-26-6-4-2)31-27-23-20-17-16-18-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)/p-1
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C36H70O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-36(39)40-34(30-26-6-4-2)31-27-23-20-17-16-18-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)/t34? Image of MNXM163121
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:19][CH2:22][CH2:25][CH2:29][CH2:33][C:36](=[O:39])[O:40][CH:34]([CH2:30][CH2:26][CH2:6][CH2:4][CH3:2])[CH2:31][CH2:27][CH2:23][CH2:20][CH2:17][CH2:16][CH2:18][CH2:21][CH2:24][CH2:28][CH2:32][C:35](=[O:37])[OH:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136335
chebi:136335
OCKHONDLGBRMHC-UHFFFAOYSA-M 		13-octadecanoyloxy-octadecanoate
13-(octadecanoyloxy)octadecanoate
13-(stearoyloxy)stearate
13-SAHSA(1-)
FAHFA(18:0/13-O-18:0)(1-)

CHEBI:137091
chebi:137091
OCKHONDLGBRMHC-UHFFFAOYSA-N 		13-(octadecanoyloxy)octadecanoic acid
13-(stearoyloxy)stearic acid
13-SAHSA
13-octadecanoyloxy-octadecanoic acid
FAHFA(18:0/13-O-18:0)

SLM:000597740
slm:000597740
OCKHONDLGBRMHC-UHFFFAOYSA-M 		13-octadecanoyloxy-octadecanoate

lipidmaps:LMFA07090016
lipidmapsM:LMFA07090016
OCKHONDLGBRMHC-UHFFFAOYSA-N 		FAHFA 18:0/13O(FA 18:0)
13-SAHSA
13-octadecanoyloxy-octadecanoic acid
FAHFA 36:0
O
hmdb:HMDB0112133
OCKHONDLGBRMHC-UHFFFAOYSA-N 		FAHFA(18:0/13-O-18:0)
13-(Octadecanoyloxy)octadecanoate
13-(Stearoyloxy)stearate
13-(Stearoyloxy)stearic acid
13-(octadecanoyloxy)octadecanoic acid
13-(stearoyloxy)octadecanoic acid
13-Octadecanoyloxy-octadecanoate
13-Octadecanoyloxy-octadecanoic acid
13-SAHSA
13-[(1-oxooctadecyl)oxy]-octadecanoic acid
stearic acid-13-hydroxystearic acid