MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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2-aminooctadecane-1,3-diol

MNXM81367 is deprecated and here replaced by MNXM1107712
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1107712
reference	chebi:46968
formula	C₁₈H₃₉NO₂
global charge	0
mol weight	301.515
InChIKey	OTKJDMGTUTTYMP-UHFFFAOYSA-N
InChI	InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3
SMILES	CCCCCCCCCCCCCCCC(O)C(N)CO

MNX internals

InChI (mnx)	InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17?,18?
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:18]([CH:17]([CH2:16][OH:20])[NH2:19])[OH:21]

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
Identifier	Description
CHEBI:46968 chebi:46968 OTKJDMGTUTTYMP-UHFFFAOYSA-N	2-aminooctadecane-1,3-diol 2-amino-1,3-octadecanediol
hmdb:HMDB0242634 OTKJDMGTUTTYMP-UHFFFAOYSA-N	(2R,3R)-2-Aminooctadecane-1,3-diol 2-Amino-1,3-octadecanediol 2-aminooctadecane-1,3-diol Dihydrosphingosine Safingol Safingol hydrochloride Safingol, ((r,s)-(+-))-isomer Safingol, (R-(r,r))-isomer Safingol, (S-(r,s))-isomer Saginfol Sphinganine erythro-D-Sphinganine threo-Dihydrosphingosine