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

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C20 sphinganine

	Properties	Image
MNX_ID	MNXM21816
reference	chebi:64887
formula	C₂₀H₄₄NO₂
global charge	1
mol weight	330.577
InChIKey	UFMHYBVQZSPWSS-VQTJNVASSA-O
InChI	InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/p+1/t19-,20+/m0/s1
SMILES	CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO

MNX internals

InChI (mnx)	InChI=1/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/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][CH2:16][CH2:17][C@H:20]([C@H:19]([CH2:18][OH:22])[NH2:21])[OH:23]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64887 chebi:64887 UFMHYBVQZSPWSS-VQTJNVASSA-O	C20 sphinganine (2S,3R)-1,3-dihydroxyicosan-2-aminium C20 sphinganine(1+) C20 sphinganinium C20 sphinganinium cation d20:0(1+) eicosadihydrosphingosine(1+) eicosasphinganine(1+) icosadihydrosphingosine(1+) icosasphinganine(1+)
seed.compound:cpd23959 seedM:cpd23959 UFMHYBVQZSPWSS-VQTJNVASSA-O	1,3-eicosanediol, 2-amino- DHS (C20) dihydrosphingosine (C20) eicosadihydrosphingosine eicosasphinganine erythro-D-sphinganine (C20) sphinganine (C20)
CHEBI:64905 chebi:64905 UFMHYBVQZSPWSS-VQTJNVASSA-N	C20 sphinganine (2S,3R)-2-aminoicosane-1,3-diol DHS (C20) d20:0 dihydrosphingosine (C20) eicosadihydrosphingosine eicosasphinganine erythro-D-sphinganine (C20) icosadihydrosphingosine icosasphinganine
metacyc.compound:CPD-13611 metacycM:CPD-13611 UFMHYBVQZSPWSS-VQTJNVASSA-O	C20 sphinganine 1,3-eicosanediol, 2-amino- DHS (C20) d20:0 dihydrosphingosine (C20) eicosadihydrosphingosine eicosasphinganine erythro-D-sphinganine (C20) icosasphinganine sphinganine (C20)
lipidmaps:LMSP01040011 lipidmapsM:LMSP01040011 UFMHYBVQZSPWSS-VQTJNVASSA-N	Eicosasphinganine (2S,3R,4E)-2-aminoeicosane-1,3-diol C20 sphinganine O2 SPB 20:0 eicosasphinganine
SLM:000000864 slm:000000864 UFMHYBVQZSPWSS-VQTJNVASSA-O	eicosasphinganine
seedM:M_cpd23959	secondary/obsolete/fantasy identifier