Molecule

166547-39-3

AlkaPlorer ID: AK032404

Synonym: None

IUPAC Name: (2S,3R)-3-hydroxy-2-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyliminocyclohexen-1-yl]amino]butanoic acid

Structure

SMILES: C/N=C1\C[C@](O)(CO)CC(N[C@H](C(=O)O)[C@@H](C)O)=C1OC

InChI: InChI=1S/C13H22N2O6/c1-7(17)10(12(18)19)15-9-5-13(20,6-16)4-8(14-2)11(9)21-3/h7,10,15-17,20H,4-6H2,1-3H3,(H,18,19)/b14-8+/t7-,10+,13-/m1/s1

InChIKey: BKSSMZDJVQTETM-ZFTORYMZSA-N

Reference

Isolation and Structure of a Novel Mycosporine-like Amino Acid from the Reef-building Corals Pocillopora damicornis and Stylophora pistillata

LOTUS: LTS0031152

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pocillopora damicornis	Pocillopora	Pocilloporidae	Scleractinia	Anthozoa	Cnidaria	Metazoa	Eukaryota

Properties Information

Molecule Weight: 302.32700000000006

TPSA？: 131.61

MolLogP？: -1.1439999999999986

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi