CHEBI:17559 - 3α(S)-strictosidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3α(S)-strictosidine
ChEBI ID CHEBI:17559
ChEBI ASCII Name 3alpha(S)-strictosidine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1674, CHEBI:15122, CHEBI:11741, CHEBI:26792, CHEBI:26794, CHEBI:19957
Supplier Information
Download Molfile XML SDF
Formula C27H34N2O9
Net Charge 0
Average Mass 530.56690
Monoisotopic Mass 530.226
InChI InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1
InChIKey XBAMJZTXGWPTRM-NTXHKPOFSA-N
SMILES [H][C@@]1(C[C@H]2[C@@H](C=C)[C@@H](OC=C2C(=O)OC)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)NCCc2c1[nH]c1ccccc21
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 3α(S)-strictosidine (CHEBI:17559) is a β-D-glucoside (CHEBI:22798)
3α(S)-strictosidine (CHEBI:17559) is a alkaloid ester (CHEBI:38481)
3α(S)-strictosidine (CHEBI:17559) is a indole alkaloid (CHEBI:38958)
3α(S)-strictosidine (CHEBI:17559) is a methyl ester (CHEBI:25248)
3α(S)-strictosidine (CHEBI:17559) is conjugate acid of 3α(S)-strictosidinium(1+) (CHEBI:58193)
Incoming 3α(S)-strictosidinium(1+) (CHEBI:58193) is conjugate base of 3α(S)-strictosidine (CHEBI:17559)
IUPAC Name
methyl (2S,3R,4S)-3-ethenyl-2-(β-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate
Synonyms Sources
3-alpha(S)-Strictosidine KEGG COMPOUND
Strictosidine KEGG COMPOUND
Manual Xrefs Databases
C00029058 KNApSAcK
C03470 KEGG COMPOUND
View more database links
Registry Number Type Source
20824-29-7 CAS Registry Number KEGG COMPOUND
Last Modified
03 March 2015