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name Structure Reference Source Properties Activities Metabolism

(S)-mandelonitrile

AlkaPlorer ID: AK027438

Synonym: None

IUPAC Name: (2S)-2-hydroxy-2-phenylacetonitrile

Structure

SMILES: N#C[C@@H](O)C1=CC=CC=C1

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InChI: InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1

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InChIKey: NNICRUQPODTGRU-MRVPVSSYSA-N

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Reference

PubChem CID: 439767

CAS: 28549-12-4

SuperNatural Ⅲ: SN0250195-01

NPASS: NPC208363

Source

Species Genus Family Order Class Phylum Kingdom Domain
Podocarpus salignus Podocarpus Podocarpaceae Araucariales Pinopsida Streptophyta Viridiplantae Eukaryota
Maytenus serrata Maytenus Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dipteronia dyeriana Dipteronia Sapindaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Psychotria bahiensis Psychotria Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Usnea florida Usnea Parmeliaceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Ophioparma ventosa Ophioparma Ophioparmaceae Umbilicariales Lecanoromycetes Ascomycota Fungi Eukaryota
Monomorium floricola Monomorium Formicidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota
Peucedanum palustre Peucedanum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brachyspira hyodysenteriae Brachyspira Brachyspiraceae Brachyspirales Spirochaetia Spirochaetota None Bacteria
Rusavskia elegans Rusavskia Teloschistaceae Teloschistales Lecanoromycetes Ascomycota Fungi Eukaryota
Streptomyces lavendulae Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Erinaceus europaeus Erinaceus Erinaceidae Eulipotyphla Mammalia Chordata Metazoa Eukaryota
Coreopsis grandiflora Coreopsis Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brevibacillus laterosporus Brevibacillus Paenibacillaceae Bacillales Bacilli Bacillota None Bacteria
Prunus mandshurica Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Garcinia macrophylla Garcinia Clusiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Coelogorgia palmosa Coelogorgia Coelogorgiidae Malacalcyonacea Anthozoa Cnidaria Metazoa Eukaryota
Phalaenopsis aphrodite Phalaenopsis Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Canarium strictum Canarium Burseraceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Leucopaxillus giganteus Leucopaxillus Tricholomataceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Prunus sibirica Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Veratrum stenophyllum Veratrum Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Actinidia kolomikta Actinidia Actinidiaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sideritis syriaca Sideritis Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gouania microcarpa Gouania Rhamnaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gymnanthemum amygdalinum Gymnanthemum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aconitum vilmorinianum Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prunus armeniaca Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Murraya kwangsiensis Murraya Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prosopis ruscifolia Prosopis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Viburnum chingii Viburnum Adoxaceae Dipsacales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dodonaea polyandra Dodonaea Sapindaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhodomicrobium vannielii Rhodomicrobium Hyphomicrobiaceae Hyphomicrobiales Alphaproteobacteria Pseudomonadota None Bacteria
Talaromyces coalescens Talaromyces Trichocomaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 133.14999999999998

TPSA？: 44.02

MolLogP？: 1.24358

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001269 C#N.O=Cc1ccccc1>>N#C[C@@H](O)c1ccccc1 MNXR194811
AKRT015688 N#C[C@@H](O)c1ccccc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 enzymemap_38153
AKRT015689 N#C[C@@H](O)c1ccccc1>>C#N enzymemap_82445
AKRT015690 N#C[C@@H](O)c1ccccc1>>C#N.O=Cc1ccccc1 None
AKRT015691 N#C[C@@H](O)c1ccccc1>>NC(=O)[C@@H](O)c1ccccc1 enzymemap_84431
AKRT015692 N#C[C@@H](O)c1ccccc1>>O=C(O)[C@@H](O)c1ccccc1 enzymemap_79741
AKRT015693 N#C[C@@H](O)c1ccccc1>>O=Cc1ccccc1 enzymemap_82445