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3-oxoeicosasphinganine

Properties

Image

Occurences in reactions

MNX_ID

MNXM14540

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₂₀H₄₂NO₂

charge

mass

328.32101

reference

InChIKey

FVOLNXKBISLPQY-IBGZPJMESA-O

InChI

InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19,22H,2-18,21H2,1H3/p+1/t19-/m0/s1

SMILES

CCCCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65073 chebi:65073	3-oxoeicosasphinganine (2S)-1-hydroxy-3-oxoeicosan-2-aminium (2S)-1-hydroxy-3-oxoicosan-2-aminium 3-dehydro-D-sphinganine (C20)(1+) 3-dehydroeicosadihydrosphingosine(1+) 3-dehydroeicosasphinganine(1+) 3-ketodihydrosphinganine (C20)(1+) C20 3-dehydrosphinganine(1+) C20 3-dehydrosphinganinium C20 3-dehydrosphinganinium cation
seed.compound:cpd23958 seedM:cpd23958	2-amino-1-hydroxyicosan-3-one 3-dehydro-D-sphinganine (C20) 3-dehydroeicosadihydrosphingosine 3-dehydroeicosasphinganine 3-dehydrosphinganine (C20) 3-eicosanone, 2-amino-1-hydroxy- 3-ketodihydrosphinganine (C20) KDHS (C20)
SLM:000000442 slm:000000442	3-dehydroeicosasphinganine
metacyc.compound:CPD-13610 metacycM:CPD-13610	3-dehydroicosasphinganine 2-amino-1-hydroxyicosan-3-one 3-dehydro-D-sphinganine (C20) 3-dehydroeicosadihydrosphingosine 3-dehydroeicosasphinganine 3-dehydrosphinganine (C20) 3-eicosanone, 2-amino-1-hydroxy- 3-ketodihydrosphinganine (C20) KDHS (C20)
CHEBI:65118 chebi:65118	C20 3-dehydrosphinganine (2S)-2-amino-1-hydroxyeicosan-3-one (2S)-2-amino-1-hydroxyicosan-3-one 2-amino-1-hydroxyicosan-3-one 3-dehydro-D-sphinganine (C20) 3-dehydroeicosadihydrosphingosine 3-dehydroeicosasphinganine 3-ketodihydrosphinganine (C20)
seedM:M_cpd23958	secondary/obsolete/fantasy identifier