SHINORINE

COC1=C(C[C@@](O)(CO)C\C1=N/[C@@H](CO)C(O)=O)NCC(O)=O

InChIKey=WXEQFJUHQIGKNG-MZNRBSSJSA-N

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)/b15-8+/t9-,13-/m0/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:04:24 GMT 2025` Edited by `admin` on `Tue Apr 01 21:04:24 GMT 2025`
Record UNII	CP6FF0KM7E
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

SHINORINE

Official Name

English

SHINORINE [MI]

Preferred Name

English

(E)-N-((5S)-3-((CARBOXYMETHYL)AMINO)-5-HYDROXY-5-(HYDROXYMETHYL)-2-METHOXYCYCLOHEX-2-EN-1-YLIDENE)SERINE

Systematic Name

English

N-(3-((CARBOXYMETHYL)AMINO)-5-HYDROXY-5-(HYDROXYMETHYL)-2-METHOXY-2-CYCLOHEXEN-1-YLIDENE)-L-SERINE

Systematic Name

English

Code System Code Type Description

FDA UNII

CP6FF0KM7E

Created by admin on Tue Apr 01 21:04:24 GMT 2025 , Edited by admin on Tue Apr 01 21:04:24 GMT 2025

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MERCK INDEX

m11679

Created by admin on Tue Apr 01 21:04:24 GMT 2025 , Edited by admin on Tue Apr 01 21:04:24 GMT 2025

PRIMARY

CAS

73112-73-9

Created by admin on Tue Apr 01 21:04:24 GMT 2025 , Edited by admin on Tue Apr 01 21:04:24 GMT 2025

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EPA CompTox

DTXSID501236368

Created by admin on Tue Apr 01 21:04:24 GMT 2025 , Edited by admin on Tue Apr 01 21:04:24 GMT 2025

PRIMARY