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

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3-oxosphinganine

	Properties	Image
MNX_ID	MNXM559
reference	chebi:58299
formula	C₁₈H₃₈NO₂
global charge	1
mol weight	300.507
InChIKey	KBUNOSOGGAARKZ-KRWDZBQOSA-O
InChI	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/p+1/t17-/m0/s1
SMILES	CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO

MNX internals

InChI (mnx)	InChI=1/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/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:18]([C@H:17]([CH2:16][OH:20])[NH2:19])=[O:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58299 chebi:58299 KBUNOSOGGAARKZ-KRWDZBQOSA-O	3-oxosphinganine (2S)-1-hydroxy-3-oxooctadecan-2-aminium 3-dehydrosphinganinium 3-dehydrosphinganinium cation 3-dehydrosphinganinium(1+)
vmhM:3dsphgn vmhmetabolite:3dsphgn KBUNOSOGGAARKZ-KRWDZBQOSA-O	(2S)-1-hydroxy-3-oxooctadecan-2-aminium (2S)-2-amino-1-hydroxyoctadecan-3-one
bigg.metabolite:3dsphgn biggM:3dsphgn KBUNOSOGGAARKZ-KRWDZBQOSA-O	3 Dehydrosphinganine
sabiork.compound:2596 sabiorkM:2596 KBUNOSOGGAARKZ-KRWDZBQOSA-N	3-Dehydro-D-sphinganine 3-Dehydrosphinganine
hmdb:HMDB0001480 KBUNOSOGGAARKZ-KRWDZBQOSA-N	3-Dehydrosphinganine (+-)-Isomer OF ketodihydrosphingosine (2S)-2-Amino-1-hydroxyoctadecan-3-one (2S)-2-amino-1-hydroxyoctadecan-3-one (S)-Isomer OF ketodihydrosphingosine 1-Hydroxy-2-amino-3-oxo-octadecane 2-Amino-1-hydroxy-3-octadecanone 3-Dehydro-D-sphinganine 3-Ketodihydrosphingosine 3-Ketosphinganine 3-ketosphinganine KDHS Ketodihydrosphingosine
kegg.compound:C02934 keggC:C02934 KBUNOSOGGAARKZ-KRWDZBQOSA-N	3-Dehydrosphinganine 3-Dehydro-D-sphinganine
seed.compound:cpd01879 seedM:cpd01879 KBUNOSOGGAARKZ-KRWDZBQOSA-O	3-Dehydrosphinganine 3-Dehydro-D-sphinganine 3-dehydro-D-sphinganine 3-dehydrosphinganine 3-dehydrosphinganine (C18) 3-ketodihydrosphingosine 3dsphgn KDHS
SLM:000000384 slm:000000384 KBUNOSOGGAARKZ-KRWDZBQOSA-O	3-dehydro-D-sphinganine
reactome:R-ALL-428182 reactomeM:R-ALL-428182 CHEBI:17862 chebi:17862 KBUNOSOGGAARKZ-KRWDZBQOSA-N	3-dehydrosphinganine (2S)-2-amino-1-hydroxyoctadecan-3-one 3-Dehydro-D-sphinganine 3-Dehydrosphinganine 3-dehydro-D-sphinganine 3-ketodihydrosphingosine 3-ketosphinganine
metacyc.compound:DEHYDROSPHINGANINE metacycM:DEHYDROSPHINGANINE KBUNOSOGGAARKZ-KRWDZBQOSA-O	3-dehydrosphinganine 3-dehydro-D-sphinganine (C18) 3-dehydrosphinganine (C18) 3-ketodihydrosphingosine (C18) KDHS (C18)
hmdb:HMDB0062571 KBUNOSOGGAARKZ-KRWDZBQOSA-O	3-dehydrosphinganinium(1+) (2S)-1-hydroxy-3-oxooctadecan-2-aminium 3-Dehydrosphinganinium 3-Dehydrosphinganinium cation 3-Oxosphinganine 3-dehydro-D-sphinganine
lipidmaps:LMSP01020002 lipidmapsM:LMSP01020002 KBUNOSOGGAARKZ-KRWDZBQOSA-N	3-ketosphinganine 3-dehydrosphinganine O2 SPB 18:1
hmdb:HMDB01480 hmdb:HMDB62571 chebi:11776 chebi:11783 chebi:1489 chebi:19991 biggM:M_3dsphgn keggC:M_C02934 seedM:M_cpd01879 vmhM:M_3dsphgn	secondary/obsolete/fantasy identifier