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ChEBI
> Main
CHEBI:5641 - heliosupine
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ChEBI Ontology
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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.
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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 (Br
o
nsted 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
(1
S
,7a
R
)-
7-
[({(2
S
)-
2,3-
dihydroxy-
2-
[(1
S
)-
1-
hydroxyethyl]-
3-
methylbutanoyl}oxy)methyl]-
2,3,5,7a-
tetrahydro-
1
H
-
pyrrolo[1,2-
a
]pyrrol-
1-
yl (2
Z
)-
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