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CHEBI:59925 - dihydro-β-ergocryptine
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ChEBI Name
dihydro-β-ergocryptine
ChEBI ID
CHEBI:59925
ChEBI ASCII Name
dihydro-beta-ergocryptine
Definition
β-Ergocryptine in which a single bond replaces the double bond between positions 9 and 10.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C32H43N5O5
Net Charge
0
Average Mass
577.71430
Monoisotopic Mass
577.32642
InChI
InChI=1S/C32H43N5O5/c1-
6-
18(4)
27-
29(39)
36-
12-
8-
11-
25(36)
32(41)
37(27)
30(40)
31(42-
32,17(2)
3)
34-
28(38)
20-
13-
22-
21-
9-
7-
10-
23-
26(21)
19(15-
33-
23)
14-
24(22)
35(5)
16-
20/h7,9-
10,15,17-
18,20,22,24-
25,27,33,41H,6,8,11-
14,16H2,1-
5H3,(H,34,38)
/t18?,20-
,22-
,24-
,25+,27+,31-
,32+/m1/s1
InChIKey
SBFXHXZNBNFPHV-CROXOCCCSA-N
SMILES
[H]
[C@@]
12Cc3c[nH]
c4cccc(c34)
[C@@]
1([H]
)
C[C@H]
(CN2C)
C(=O)
N[C@@]
1(O[C@]
2(O)
N([C@@H]
(C(C)
CC)
C(=O)
N3CCC[C@@]
23[H]
)
C1=O)
C(C)
C
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
dihydro-β-ergocryptine (
CHEBI:59925
)
has functional parent
β-ergocryptine (
CHEBI:59921
)
dihydro-β-ergocryptine (
CHEBI:59925
)
has parent hydride
ergotaman (
CHEBI:36185
)
dihydro-β-ergocryptine (
CHEBI:59925
)
is a
ergot alkaloid (
CHEBI:23943
)
Incoming
dihydro-β-ergocryptine mesylate (
CHEBI:34704
)
has part
dihydro-β-ergocryptine (
CHEBI:59925
)
IUPAC Name
(10α
H
)-
5'α-
(butan-
2-
yl)-
12'-
hydroxy-
3',6',18-
trioxo-
2'-
(propan-
2-
yl)-
9,10-
dihydroergotaman
Synonyms
Sources
9,10-dihydro-β-ergocryptine
ChEBI
β-dihydroergocryptine
ChEBI
Registry Number
Type
Source
8602493
Beilstein Registry Number
Beilstein
Last Modified
02 August 2010