Molecule

UNPD108129

AlkaPlorer ID: AK022160

Synonym: None

IUPAC Name: (Z)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile

SMILES: C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1

InChIKey: DAVUWBZDLSJMFA-GMLQCYRESA-N

PubChem CID: 11032594

LOTUS: LTS0112934

SuperNatural Ⅲ: SN0060831-03

NPASS: NPC58380

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Endoconidiophora coerulescens	Endoconidiophora	Ceratocystidaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 259.25800000000004

TPSA？: 123.17000000000002

MolLogP？: -1.7272200000000006

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT001310	C/C(=C/C#N)CO.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>>C/C(=C/C#N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	RXN-20861