CHEBI:17729 - (S)-norcoclaurine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-norcoclaurine
ChEBI ID CHEBI:17729
ChEBI ASCII Name (S)-norcoclaurine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11069, CHEBI:435, CHEBI:18792
Supplier Information
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Formula C16H17NO3
Net Charge 0
Average Mass 271.31112
Monoisotopic Mass 271.12084
InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m0/s1
InChIKey WZRCQWQRFZITDX-AWEZNQCLSA-N
SMILES Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-norcoclaurine (CHEBI:17729) is a norcoclaurine (CHEBI:25591)
(S)-norcoclaurine (CHEBI:17729) is conjugate base of (S)-norcoclaurinium(1+) (CHEBI:58253)
Incoming (S)-norcoclaurinium(1+) (CHEBI:58253) is conjugate acid of (S)-norcoclaurine (CHEBI:17729)
IUPAC Name
(1S)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Synonyms Sources
(S)-Norcoclaurine KEGG COMPOUND
6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline KEGG COMPOUND
Manual Xref Database
C06160 KEGG COMPOUND
View more database links
Registry Number Type Source
22672-77-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014