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

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sphinganine

	Properties	Image
MNX_ID	MNXM733692
reference	chebi:57817
formula	C₁₈H₄₀NO₂
global charge	1
mol weight	302.523
InChIKey	OTKJDMGTUTTYMP-ZWKOTPCHSA-O
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/p+1/t17-,18+/m0/s1
SMILES	CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])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+/m0/s1
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][C@H:18]([C@H:17]([CH2:16][OH:20])[NH2:19])[OH:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	78
in models (compartimentalized)	51

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57817 chebi:57817 OTKJDMGTUTTYMP-ZWKOTPCHSA-O	sphinganine (2S,3R)-1,3-dihydroxyoctadecan-2-aminium C18-sphinganine C18-sphinganine(1+) d18:0(1+) sphinganine(1+)
seed.compound:cpd26862 seedM:cpd26862	DIHYDRO-SPHINGOSINE
bigg.metabolite:sphgn biggM:sphgn OTKJDMGTUTTYMP-ZWKOTPCHSA-O	Sphinganine
hmdb:HMDB0000269 OTKJDMGTUTTYMP-ZWKOTPCHSA-N	Sphinganine (2S,3R)-2-Amino-1,3-octadecanediol (2S,3R)-2-Aminooctadecane-1,3-diol (2S,3R)-2-aminooctadecane-1,3-diol (2S,3R)-Sphinganine (R-(R,s))-2-aminooctadecane-1,3-diol 2-Amino-1,3-dihydroxyoctadecane 2-Amino-D-erythro-1,3-octadecanediol 2-Aminooctadecane-1,3-diol C18-Dihydro-sphingosine C18-Dihydrosphingosine C18-Sphinganine D-Erythro-1,3-dihydroxy-2-aminooctadecane D-Erythro-2-amino-1,3-octadecanediol D-Erythro-C18-dihydrosphingosine D-Erythro-dihydrosphingosine D-Erythro-sphinganine D18:0 Dihydro-C18-sphingosine Dihydrosphingosine Erythro-D-sphinganine Erythro-sphinganine Octadecasphinganine SP(D18:0) Safingol Threo-dihydrosphingosine [R-(R,s)]-2-amino-1,3-octadecanediol sphinganine
seed.compound:cpd00623 seedM:cpd00623 OTKJDMGTUTTYMP-ZWKOTPCHSA-O	Sphinganine 2-Amino-1,3-dihydroxyoctadecane D-erthyro-DHS D-erthyro-dihydrosphingosine D-erthyro-dihydrosphingosine (C18) D-erthyro-sphinganine D-erthyro-sphinganine (C18) D-erythro-DHS D-erythro-dihydrosphingosine D-erythro-dihydrosphingosine (C18) D-erythro-sphinganine D-erythro-sphinganine (C18) Dihydrosphingosine dihydrosphingosine erythro-D-sphinganine sphgn sphinganine
sabiork.compound:5264 sabiorkM:5264 kegg.compound:C00836 keggC:C00836 OTKJDMGTUTTYMP-ZWKOTPCHSA-N	Sphinganine 2-Amino-1,3-dihydroxyoctadecane Dihydrosphingosine
lipidmaps:LMSP01020001 lipidmapsM:LMSP01020001 OTKJDMGTUTTYMP-ZWKOTPCHSA-N	Sphinganine D-erythro-2-Amino-1,3-octadecanediol D-erythro-Sphinganine Dihydrosphingosine O2 Octadecasphinganine SPB 18:0 Sphinganine
SLM:000000035 slm:000000035 OTKJDMGTUTTYMP-ZWKOTPCHSA-O	sphinganine
vmhM:sphgn vmhmetabolite:sphgn OTKJDMGTUTTYMP-ZWKOTPCHSA-O	sphinganine(1+) (2S,3R)-2-aminooctadecane-1,3-diol
reactome:R-ALL-428163 reactomeM:R-ALL-428163 CHEBI:16566 chebi:16566 OTKJDMGTUTTYMP-ZWKOTPCHSA-N	sphinganine (2S,3R)-2-amino-1,3-octadecanediol (2S,3R)-2-aminooctadecane-1,3-diol (R-(R,S))-2-aminooctadecane-1,3-diol 2-Amino-1,3-dihydroxyoctadecane C18-dihydrosphingosine C18-sphinganine D-erythro-1,3-dihydroxy-2-aminooctadecane D-erythro-2-amino-1,3-octadecanediol D-erythro-C18-dihydrosphingosine Dihydrosphingosine Safingol Sphinganine d18:0 octadecasphinganine
metacyc.compound:CPD-13612 metacycM:CPD-13612 OTKJDMGTUTTYMP-ZWKOTPCHSA-O	sphinganine D-erythro-DHS (C18) D-erythro-dihydrosphingosine (C18) D-erythro-sphinganine (C18) d18:0 dihydrosphingosine (C18) octadecasphinganine sphinganine (C18)
hmdb:HMDB00269 chebi:15099 chebi:26736 chebi:26737 chebi:549953 chebi:9221 biggM:M_sphgn keggC:M_C00836 seedM:M_cpd00623 seedM:M_cpd26862 vmhM:M_sphgn	secondary/obsolete/fantasy identifier