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3-oxoeicosasphinganine

PropertiesImage
MNX_IDMNXM14540 Image of MNXM14540
referencechebi:65073
formulaC20H42NO2
global charge1
mol weight328.561
InChIKeyFVOLNXKBISLPQY-IBGZPJMESA-O
InChIInChI=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
SMILESCCCCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO
MNX internals
InChI (mnx)InChI=1/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/t19-/m0/s1 Image of MNXM14540
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:20]([C@H:19]([CH2:18][OH:22])[NH2:21])=[O:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65073
chebi:65073
FVOLNXKBISLPQY-IBGZPJMESA-O 		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
FVOLNXKBISLPQY-IBGZPJMESA-O 		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
FVOLNXKBISLPQY-IBGZPJMESA-O 		3-dehydroeicosasphinganine

CHEBI:65118
chebi:65118
FVOLNXKBISLPQY-IBGZPJMESA-N 		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)

metacyc.compound:CPD-13610
metacycM:CPD-13610
FVOLNXKBISLPQY-IBGZPJMESA-O 		C20 3-dehydrosphinganine
2-amino-1-hydroxyicosan-3-one
3-dehydro-D-sphinganine (C20)
3-dehydroeicosadihydrosphingosine
3-dehydroeicosasphinganine
3-dehydroicosasphinganine
3-dehydrosphinganine (C20)
3-eicosanone, 2-amino-1-hydroxy-
3-ketodihydrosphinganine (C20)
KDHS (C20)

seedM:M_cpd23958 		secondary/obsolete/fantasy identifier