Search MNXref
 Feedback

4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone

PropertiesImage
MNX_IDMNXM10162 Image of MNXM10162
referencechebi:82561
formulaC10H13N3O3
global charge0
mol weight223.232
InChIKeyDADWKWOJOMSGPK-UHFFFAOYSA-N
InChIInChI=1S/C10H13N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,14H,2,4,6,8H2
SMILESO=NN(CO)CCCC(=O)C1=CN=CC=C1
MNX internals
InChI (mnx)InChI=1/C10H13N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,14H,2,4,6,8H2 Image of MNXM10162
SMILES (mnx)[CH:1]1=[CH:3][C:9]([C:10]([CH2:4][CH2:2][CH2:6][N:13]([CH2:8][OH:14])[N:12]=[O:16])=[O:15])=[CH:7][N:11]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd20817
seedM:cpd20817
CHEBI:82561
chebi:82561
kegg.compound:C19563
keggC:C19563
DADWKWOJOMSGPK-UHFFFAOYSA-N
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone

vmhM:M00951
vmhmetabolite:M00951
DADWKWOJOMSGPK-UHFFFAOYSA-N
4-[(Hydroxymethyl)Nitrosoamino]-1-(3-Pyridinyl)-1-Butanone
4-[(hydroxymethyl)(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
hmdb:HMDB0062382
DADWKWOJOMSGPK-UHFFFAOYSA-N
4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone
4-[(hydroxymethyl)(nitroso)amino]-1-(pyridin-3-yl)butan-1-one

hmdb:HMDB62382
keggC:M_C19563
seedM:M_cpd20817
vmhM:M_M00951
secondary/obsolete/fantasy identifier