Molecule

Shinorine

AlkaPlorer ID: AK313490

Synonym: N-[3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene]serine, Mycosporin-Gly-Ser, Mytilin A

IUPAC Name: 2-[[3-(carboxymethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxypropanoic acid

SMILES: COC1=C(NCC(=O)O)CC(O)(CO)CC1=NC(CO)C(=O)O

InChI: InChI=1S/C13H20N2O8/c1-23-11-7(14-4-10(18)19)2-13(22,6-17)3-8(11)15-9(5-16)12(20)21/h9,14,16-17,22H,2-6H2,1H3,(H,18,19)(H,20,21)

InChIKey: WXEQFJUHQIGKNG-UHFFFAOYSA-N

LOTUS: LTS0188517

COCONUT: CNP0226929.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Chondrus yendoi	Chondrus	Gigartinaceae	Gigartinales	Florideophyceae	Rhodophyta	None	Eukaryota
Mytilus galloprovincialis	Mytilus	Mytilidae	Mytilida	Bivalvia	Mollusca	Metazoa	Eukaryota
Strongylocentrotus droebachiensis	Strongylocentrotus	Strongylocentrotidae	Camarodonta	Echinoidea	Echinodermata	Metazoa	Eukaryota
Artemia sp.	Artemia	Artemiidae	Anostraca	Branchiopoda	Arthropoda	Metazoa	Eukaryota

Molecule Weight: 332.3090000000001

TPSA？: 168.91

MolLogP？: -2.077699999999998

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi