CHEBI:5641 - heliosupine

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ChEBI Name heliosupine
ChEBI ID CHEBI:5641
Definition An azabicycloalkane compound having angelyloxy and echimidinyloxymethyl substituents attached to the ring system.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H31NO7
Net Charge 0
Average Mass 397.46260
Monoisotopic Mass 397.21005
InChI InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20+/m0/s1
InChIKey HRSGCYGUWHGOPY-UKLMUADPSA-N
SMILES [H][C@@]12[C@H](CCN1CC=C2COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)OC(=O)C(\C)=C/C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 2-methylbut-2-enoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing heliosupine (CHEBI:5641) has functional parent angelic acid (CHEBI:36431)
heliosupine (CHEBI:5641) has functional parent isocrotonic acid (CHEBI:36253)
heliosupine (CHEBI:5641) is a 2-methylbut-2-enoic acid (CHEBI:36432)
heliosupine (CHEBI:5641) is a azabicycloalkane (CHEBI:38295)
heliosupine (CHEBI:5641) is a diester (CHEBI:51307)
IUPAC Name
(1S,7aR)-7-[({(2S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoyl}oxy)methyl]-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl (2Z)-2-methylbut-2-enoate
Synonyms Sources
7-Angelyl-9-echimidinylheliotridine KEGG COMPOUND
Cynoglossofin ChemIDplus
Cynoglossofine ChemIDplus
Cynoglossophine ChemIDplus
Heliosupin NIST Chemistry WebBook
Heliosupine KEGG COMPOUND
Manual Xrefs Databases
C00002088 KNApSAcK
C10319 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
32728-78-2 CAS Registry Number ChemIDplus
32728-78-2 CAS Registry Number NIST Chemistry WebBook
Last Modified
28 July 2014